Geometry & MOs

Info

ID:

67526

PubChem CID:

46506648

Reduced:

ClSO2N5H18C19 (1)

Stoich.:

ABC2D5E18F19 (1)

Weight, g/mol:

578.165762

ΔHf, kcal/mol:

1.45

Dipole, Da:

2.84

IP(EA), eV:

 -9.16(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(11-acetyl-3-oxo-4-phenyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations