Geometry & MOs

Info

ID:

87963

PubChem CID:

49899096

Reduced:

SN3O7H23C30 (1)

Stoich.:

AB3C7D23E30 (1)

Weight, g/mol:

610.188606

ΔHf, kcal/mol:

-92.52

Dipole, Da:

7.88

IP(EA), eV:

 -9.07(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(diethylamino)-2-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations