Geometry & MOs

Info

ID:

116199

PubChem CID:

50550692

Reduced:

ClN6O7C34H45 (1)

Stoich.:

AB6C7D34E45 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-274.48

Dipole, Da:

10.91

IP(EA), eV:

 -9.06(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC)Cl

DOS

IR

Vibrations