Geometry & MOs

Info

ID:

103842

PubChem CID:

50077402

Reduced:

F4N5O5C33H35 (1)

Stoich.:

A4B5C5D33E35 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-369.92

Dipole, Da:

9.12

IP(EA), eV:

 -8.95(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations