Geometry & MOs

Info

ID:

109823

PubChem CID:

50298594

Reduced:

ClO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-220.79

Dipole, Da:

7.16

IP(EA), eV:

 -8.76(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC(C)C

DOS

IR

Vibrations