Geometry & MOs

Info

ID:	243769
PubChem CID:	99239481
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	403.118651
ΔH_f, kcal/mol:	-189.93
Dipole, Da:	3.21
IP(EA), eV:	-9.09(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C

DOS

IR

Vibrations