Geometry & MOs

Info

ID:	194286
PubChem CID:	78510656
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	420.097581
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	8.13
IP(EA), eV:	-8.76(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations