Geometry & MOs

Info

ID:	213262
PubChem CID:	81063280
Reduced:	NSO3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	2.56
IP(EA), eV:	-8.69(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1CCSC1

DOS

IR

Vibrations