Geometry & MOs

Info

ID:

117133

PubChem CID:

50591939

Reduced:

BrClO5N6C31H40 (1)

Stoich.:

ABC5D6E31F40 (1)

Weight, g/mol:

673.303097

ΔHf, kcal/mol:

-214.74

Dipole, Da:

7.29

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)Cl

DOS

IR

Vibrations