Geometry & MOs

Info

ID:	192380
PubChem CID:	78263362
Reduced:	ClN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	395.054912
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757287
Charge, e:	-1

Chem-info

IUPAC name:

2-ethoxy-4-[[3-(1-methoxy-1-oxopropan-2-yl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-nitrophenolate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations