Geometry & MOs

Info

ID:

112625

PubChem CID:

50413827

Reduced:

ClO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-222.74

Dipole, Da:

6.03

IP(EA), eV:

 -8.77(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)C

DOS

IR

Vibrations