Geometry & MOs

Info

ID:

111503

PubChem CID:

50370457

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

708.376597

ΔHf, kcal/mol:

-142.48

Dipole, Da:

7.19

IP(EA), eV:

 -8.8(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations