Geometry & MOs

Info

ID:	178400
PubChem CID:	76322959
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	378.060903
ΔH_f, kcal/mol:	22.03
Dipole, Da:	5.12
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/NC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)/C

DOS

IR

Vibrations