Geometry & MOs

Info

ID:	171113
PubChem CID:	75329799
Reduced:	SN3O7H21C23 (1)
Stoich.:	AB3C7D21E23 (1)
Weight, g/mol:	503.115107
ΔH_f, kcal/mol:	-114.03
Dipole, Da:	5.07
IP(EA), eV:	-9.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylphenyl)-2-[3-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OCC(=O)NC4CC4

DOS

IR

Vibrations