Geometry & MOs

Info

ID:	40090
PubChem CID:	8143548
Reduced:	OS2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	102.1
Dipole, Da:	11.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851463
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations