Geometry & MOs

Info

ID:	243055
PubChem CID:	99215315
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	420.111225
ΔH_f, kcal/mol:	1.79
Dipole, Da:	4.11
IP(EA), eV:	-8.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[(1R)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]methyl]-5-(4-methoxyanilino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)CN3C=C(OC3=S)C4=CC=CC=C4

DOS

IR

Vibrations