Geometry & MOs

Info

ID:

103518

PubChem CID:

50071660

Reduced:

F2O3N4C29H30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-167.52

Dipole, Da:

7.95

IP(EA), eV:

 -8.57(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)F)F

DOS

IR

Vibrations