Geometry & MOs

Info

ID:	88090
PubChem CID:	49900773
Reduced:	SN3O3H23C29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	522.091929
ΔH_f, kcal/mol:	15.29
Dipole, Da:	10.06
IP(EA), eV:	-8.7(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-[3-[(2-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)C

DOS

IR

Vibrations