Geometry & MOs

Info

ID:	40574
PubChem CID:	8144361
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-46.25
Dipole, Da:	2.56
IP(EA), eV:	-8.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(morpholin-4-ylmethyl)-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N(C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations