Geometry & MOs

Info

ID:	117704
PubChem CID:	50612313
Reduced:	Cl2O4N5C27H31 (1)
Stoich.:	A2B4C5D27E31 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-163.23
Dipole, Da:	4.63
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations