Geometry & MOs

Info

ID:	33246
PubChem CID:	7885629
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-86.77
Dipole, Da:	3.94
IP(EA), eV:	-8.79(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N(C(C)C)C(C)C)C

DOS

IR

Vibrations