Geometry & MOs

Info

ID:	440151
PubChem CID:	135230052
Reduced:	NC10H17 (3)
Stoich.:	AB10C17 (3)
Weight, g/mol:	505.153512
ΔH_f, kcal/mol:	4.49
Dipole, Da:	0.97
IP(EA), eV:	-8.32(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-(2-aminoethyl)cyclopentanecarbonyl]amino]-4-[4-[(2,6-dichlorobenzoyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1CCN2C(C1)CCCC2CC3CCNC4C3CCC(C4)CC5CCN6CCC=CC6C5

DOS

IR

Vibrations