Geometry & MOs

Info

ID:

120005

PubChem CID:

50711412

Reduced:

Cl2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

758.335875

ΔHf, kcal/mol:

-156.5

Dipole, Da:

2.98

IP(EA), eV:

 -8.82(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations