Geometry & MOs

Info

ID:	178243
PubChem CID:	76303384
Reduced:	SN2O7C21H30 (1)
Stoich.:	AB2C7D21E30 (1)
Weight, g/mol:	400.130422
ΔH_f, kcal/mol:	-269.75
Dipole, Da:	7.24
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=CC(=O)OC)S(=O)(=O)NCCC(=O)NC2CCCCC2)OC

DOS

IR

Vibrations