Geometry & MOs

Info

ID:

171108

PubChem CID:

75329760

Reduced:

SN3O9H17C25 (1)

Stoich.:

AB3C9D17E25 (1)

Weight, g/mol:

617.032949

ΔHf, kcal/mol:

-104.52

Dipole, Da:

7.46

IP(EA), eV:

 -9.26(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-methoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations