Geometry & MOs

Info

ID:

117094

PubChem CID:

50588914

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-175.13

Dipole, Da:

7.52

IP(EA), eV:

 -8.91(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-(diethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations