Geometry & MOs

Info

ID:

112150

PubChem CID:

50397343

Reduced:

BrO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-204.53

Dipole, Da:

9.88

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)NC4CCCC4

DOS

IR

Vibrations