Geometry & MOs

Info

ID:	111538
PubChem CID:	50371638
Reduced:	ClN5O5C29H36 (1)
Stoich.:	AB5C5D29E36 (1)
Weight, g/mol:	611.287447
ΔH_f, kcal/mol:	-191.02
Dipole, Da:	8.65
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

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

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C(=O)N4CCOCC4

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

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):