Geometry & MOs

Info

ID:	302000
PubChem CID:	123108693
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	5.62
IP(EA), eV:	-8.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfinylmethyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CS(=O)CC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations