Geometry & MOs

Info

ID:	426107
PubChem CID:	135138352
Reduced:	FO2N4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	517.248918
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	5.74
IP(EA), eV:	-8.99(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]cyclopropyl]-1-[3-[2-fluoro-3-(piperidine-1-carbonyl)phenyl]phenyl]pyrrole-3-carboxylic 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

C1=CC=C(C=C1)C[C@H](CC(=O)N)NC(=O)C2=CC=CC=C2C3=CC(=NN3)C4=CC=C(C=C4)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

C1=CC=C(C=C1)C[C@H](CC(=O)N)NC(=O)C2=CC=CC=C2C3=CC(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):