Geometry & MOs

Info

ID:	422017
PubChem CID:	135117017
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	380.064669
ΔH_f, kcal/mol:	-196.14
Dipole, Da:	3.71
IP(EA), eV:	-8.63(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N2CCC3(CC2)CC(CCO3)(C)O)OC

DOS

IR

Vibrations