Geometry & MOs

Info

ID:	111002
PubChem CID:	50348089
Reduced:	ClO4N5C27H32 (1)
Stoich.:	AB4C5D27E32 (1)
Weight, g/mol:	581.300205
ΔH_f, kcal/mol:	-147.51
Dipole, Da:	4.61
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)N4CCCC4

DOS

IR

Vibrations