Geometry & MOs

Info

ID:	38509
PubChem CID:	8136946
Reduced:	ClNSO4C18H18 (1)
Stoich.:	ABCD4E18F18 (1)
Weight, g/mol:	413.025535
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	4.1
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dichlorophenyl)sulfanylethyl 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)OCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations