Geometry & MOs

Info

ID:	172197
PubChem CID:	75478209
Reduced:	ClSN3O5C12H16 (1)
Stoich.:	ABC3D5E12F16 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	-180.91
Dipole, Da:	7.5
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-([1,2,4]triazolo[1,5-c]quinazolin-2-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)CS(=O)(=O)N(C)C

DOS

IR

Vibrations