Geometry & MOs

Info

ID:	213037
PubChem CID:	81062599
Reduced:	ClOSN2C10H17 (1)
Stoich.:	ABCD2E10F17 (1)
Weight, g/mol:	302.141262
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	3.21
IP(EA), eV:	-8.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C1=NC(=CS1)CCl

DOS

IR

Vibrations