Geometry & MOs

Info

ID:	435203
PubChem CID:	135184552
Reduced:	SN3O5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	326.061966
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	1.73
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1,2,4-thiadiazol-5-amine;(3-cyclopropyl-1,2,4-thiadiazol-5-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(C1(C(C(=O)/C(=C/C2=CNC3=C2C=CC=N3)/O1)C(=O)O)N(C)CC4=CC=CS4)OC

DOS

IR

Vibrations