Geometry & MOs

Info

ID:	290525
PubChem CID:	104643465
Reduced:	NSO2C5H13 (1)
Stoich.:	ABC2D5E13 (1)
Weight, g/mol:	189.068431
ΔH_f, kcal/mol:	-102.45
Dipole, Da:	1.39
IP(EA), eV:	-9.04(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

C(CSCC(CN)O)O

DOS

IR

Vibrations