Geometry & MOs

Info

ID:	213551
PubChem CID:	81064104
Reduced:	N3O5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	335.01497
ΔH_f, kcal/mol:	-243.04
Dipole, Da:	2.86
IP(EA), eV:	-9.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations