Geometry & MOs

Info

ID:	423524
PubChem CID:	135119671
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	346.1021
ΔH_f, kcal/mol:	-145.68
Dipole, Da:	5.65
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-thiophen-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations