Geometry & MOs

Info

ID:	242480
PubChem CID:	96100334
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2,3-dihydro-1-benzothiophen-3-yl]-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)[C@@H]3CSC4=CC=CC=C34

DOS

IR

Vibrations