Geometry & MOs

Info

ID:

88493

PubChem CID:

49903856

Reduced:

SCl2N2O7H16C25 (1)

Stoich.:

AB2C2D7E16F25 (1)

Weight, g/mol:

549.120586

ΔHf, kcal/mol:

-119.92

Dipole, Da:

7.32

IP(EA), eV:

 -9.38(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC(=O)C2=C(C=C(C=C2)Cl)Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations