Geometry & MOs

Info

ID:	55200
PubChem CID:	17389887
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	201.057198
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	3.64
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC(=O)N(C1)CCC2=CC=CC=C2

DOS

IR

Vibrations