Geometry & MOs

Info

ID:	86756
PubChem CID:	49888905
Reduced:	SN2O4H24C27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	540.066108
ΔH_f, kcal/mol:	-87.16
Dipole, Da:	4.68
IP(EA), eV:	-8.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)C

DOS

IR

Vibrations