Geometry & MOs

Info

ID:	115500
PubChem CID:	50525129
Reduced:	ClO4N5C27H32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	571.219762
ΔH_f, kcal/mol:	-157.85
Dipole, Da:	4.8
IP(EA), eV:	-8.72(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-dimethoxyphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations