Geometry & MOs

Info

ID:

67428

PubChem CID:

46506461

Reduced:

SN4O5H24C26 (1)

Stoich.:

AB4C5D24E26 (1)

Weight, g/mol:

538.107769

ΔHf, kcal/mol:

-139.67

Dipole, Da:

2.79

IP(EA), eV:

 -9.14(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dioxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC(=O)NC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations