Geometry & MOs

Info

ID:	142846
PubChem CID:	53099835
Reduced:	ClSN4O4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	1.65
IP(EA), eV:	-8.5(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4-ethylphenyl)carbamoylamino]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NCC2=NN=C(S2)C(=O)NC3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations