Geometry & MOs

Info

ID:

95784

PubChem CID:

50014641

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

702.329646

ΔHf, kcal/mol:

-187.28

Dipole, Da:

5.74

IP(EA), eV:

 -8.87(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations