Geometry & MOs

Info

ID:

95642

PubChem CID:

50011073

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-210.97

Dipole, Da:

2.2

IP(EA), eV:

 -8.64(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl

DOS

IR

Vibrations