Geometry & MOs

Info

ID:

105297

PubChem CID:

50106858

Reduced:

FO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-250.12

Dipole, Da:

4.65

IP(EA), eV:

 -8.82(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C

DOS

IR

Vibrations