Geometry & MOs

Info

ID:

92628

PubChem CID:

49988603

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-231.67

Dipole, Da:

8.72

IP(EA), eV:

 -9.07(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations