Geometry & MOs

Info

ID:	178246
PubChem CID:	76303441
Reduced:	NSO7C23H25 (1)
Stoich.:	ABC7D23E25 (1)
Weight, g/mol:	449.150823
ΔH_f, kcal/mol:	-196.11
Dipole, Da:	8.89
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3,4-dimethoxy-5-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2O1)N(C)S(=O)(=O)C3=CC(=CC(=C3OC)OC)C=CC(=O)OC

DOS

IR

Vibrations