Geometry & MOs

Info

ID:

118201

PubChem CID:

50632982

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-181.28

Dipole, Da:

3.74

IP(EA), eV:

 -8.74(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NCC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations