Geometry & MOs

Info

ID:

112823

PubChem CID:

50421593

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-234.86

Dipole, Da:

9.47

IP(EA), eV:

 -8.77(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations