Geometry & MOs

Info

ID:	139356
PubChem CID:	52515586
Reduced:	O2S2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	361.084007
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	8.26
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations