Geometry & MOs

Info

ID:

110122

PubChem CID:

50311369

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-133.82

Dipole, Da:

7.49

IP(EA), eV:

 -8.81(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-methoxy-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations