Geometry & MOs

Info

ID:	228434
PubChem CID:	87564457
Reduced:	FS2O3N8C25H27 (1)
Stoich.:	AB2C3D8E25F27 (1)
Weight, g/mol:	1108.521097
ΔH_f, kcal/mol:	6.84
Dipole, Da:	5.8
IP(EA), eV:	-8.73(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(7-benzoyl-2-oxo-3H-benzimidazol-1-yl)-2-[3-(dibenzylamino)propyl]piperidine-1-carboxylic acid;[2-[3-(dibenzylamino)propyl]-4-(2-oxo-3H-benzimidazol-1-yl)phenyl]carbamic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC1N2CCN(CC2)CC(=O)NC3=NC4=CC(=C(C=C4S3)SC5=NN=C6N5N=C(C=C6)OC7CCOC7)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CC1N2CCN(CC2)CC(=O)NC3=NC4=CC(=C(C=C4S3)SC5=NN=C6N5N=C(C=C6)OC7CCOC7)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):