Geometry & MOs

Info

ID:	131626
PubChem CID:	51236697
Reduced:	N2S2O3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	372.048146
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	8.05
IP(EA), eV:	-9.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CSC2=NN=C(O2)CC3CCS(=O)(=O)C3)C

DOS

IR

Vibrations