Geometry & MOs

Info

ID:	147242
PubChem CID:	53786896
Reduced:	FNO5C27H30 (1)
Stoich.:	ABC5D27E30 (1)
Weight, g/mol:	200.036797
ΔH_f, kcal/mol:	-234.96
Dipole, Da:	2.11
IP(EA), eV:	-8.79(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazin-3-ylsulfanyl)ethylcarbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(CC(C=CC1=C(C2=CC=CC=C2C(=O)N1C(C)C)C3=CC=C(C=C3)F)O)O

DOS

IR

Vibrations