Geometry & MOs

Info

ID:	141283
PubChem CID:	52853079
Reduced:	ClO2N3C16H27 (1)
Stoich.:	AB2C3D16E27 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762305
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-2,3,4-trimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](C)NC(=O)CC2=C(ON=C2C)Cl)C

DOS

IR

Vibrations