Geometry & MOs

Info

ID:

99653

PubChem CID:

50053558

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-250.44

Dipole, Da:

5.95

IP(EA), eV:

 -9.06(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C

DOS

IR

Vibrations