Geometry & MOs

Info

ID:	37245
PubChem CID:	8018717
Reduced:	SN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	305.022163
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813044
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations