Geometry & MOs

Info

ID:	249431
PubChem CID:	103089392
Reduced:	NSO4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	305.16608
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	4.68
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]-5-methylsulfanylpentanoic acid

Drug info:

PubChemData

Smile

CCCN(C(CCCSC)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

DOS

IR

Vibrations