Geometry & MOs

Info

ID:	217836
PubChem CID:	85088466
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	404.043539
ΔH_f, kcal/mol:	55.69
Dipole, Da:	3.76
IP(EA), eV:	-7.49(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyanilino)-4-(2-methoxyphenyl)-1,2,4-thiadiazol-5-ylidene]carbamodithioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=CC(=C2)OC)N=C(C=C(N=C3C=C(C=CC3=N1)OC)C)C)C

DOS

IR

Vibrations