Geometry & MOs

Info

ID:

105956

PubChem CID:

50144113

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-189.83

Dipole, Da:

4.84

IP(EA), eV:

 -8.73(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-methyl-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations