Geometry & MOs

Info

ID:

105951

PubChem CID:

50143952

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-226.32

Dipole, Da:

5.98

IP(EA), eV:

 -8.7(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(phenylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations