Geometry & MOs

Info

ID:

114107

PubChem CID:

50471926

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-199.74

Dipole, Da:

8.9

IP(EA), eV:

 -8.76(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)C)F

DOS

IR

Vibrations