Geometry & MOs

Info

ID:

118273

PubChem CID:

50636624

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

637.22226

ΔHf, kcal/mol:

-220.21

Dipole, Da:

8.81

IP(EA), eV:

 -8.35(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)NC(=O)C

DOS

IR

Vibrations