Geometry & MOs

Info

ID:

110421

PubChem CID:

50324058

Reduced:

O5N6C31H42 (1)

Stoich.:

A5B6C31D42 (1)

Weight, g/mol:

744.401062

ΔHf, kcal/mol:

-210.9

Dipole, Da:

10.29

IP(EA), eV:

 -8.58(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations