Geometry & MOs

Info

ID:

108208

PubChem CID:

50235511

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

722.298346

ΔHf, kcal/mol:

-195.42

Dipole, Da:

8.4

IP(EA), eV:

 -8.81(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)Cl

DOS

IR

Vibrations