Geometry & MOs

Info

ID:	78567
PubChem CID:	49693630
Reduced:	SN2O2C11H14 (2)
Stoich.:	AB2C2D11E14 (2)
Weight, g/mol:	480.092597
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	9.55
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations