Geometry & MOs

Info

ID:	60817
PubChem CID:	26702439
Reduced:	SN2O7H24C25 (1)
Stoich.:	AB2C7D24E25 (1)
Weight, g/mol:	481.155909
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	6.02
IP(EA), eV:	-8.26(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-methoxybenzoyl)amino]phenyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CSCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations