Geometry & MOs

Info

ID:

118047

PubChem CID:

50626023

Reduced:

Cl2O4N5C30H39 (1)

Stoich.:

A2B4C5D30E39 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-112.14

Dipole, Da:

9.51

IP(EA), eV:

 -7.61(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations