Geometry & MOs

Info

ID:	60818
PubChem CID:	26702441
Reduced:	NSO6C26H27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	465.160994
ΔH_f, kcal/mol:	-176.23
Dipole, Da:	2.77
IP(EA), eV:	-8.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methylbenzoyl)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=C3OC)OC)OC

DOS

IR

Vibrations