Geometry & MOs

Info

ID:	213312
PubChem CID:	81063422
Reduced:	NOSC11H25 (1)
Stoich.:	ABCD11E25 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	3.04
IP(EA), eV:	-8.83(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,5-dimethylphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CCCCCS

DOS

IR

Vibrations