Geometry & MOs

Info

ID:	142845
PubChem CID:	53099795
Reduced:	FO2S2N4H11C15 (1)
Stoich.:	AB2C2D4E11F15 (1)
Weight, g/mol:	446.081554
ΔH_f, kcal/mol:	-14.33
Dipole, Da:	3.16
IP(EA), eV:	-9.25(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-5-[[[2-(3,4-dimethoxyphenyl)acetyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations