Geometry & MOs

Info

ID:	78570
PubChem CID:	49693635
Reduced:	SN3O4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	480.092597
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	3.42
IP(EA), eV:	-9.15(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations