Geometry & MOs

Info

ID:

116454

PubChem CID:

50561239

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

704.308911

ΔHf, kcal/mol:

-164.59

Dipole, Da:

7.9

IP(EA), eV:

 -8.8(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations