Geometry & MOs

Info

ID:

112982

PubChem CID:

50427940

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-197.4

Dipole, Da:

9.93

IP(EA), eV:

 -8.78(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations