Geometry & MOs

Info

ID:

67517

PubChem CID:

46506625

Reduced:

ClS2N4O4H27C28 (1)

Stoich.:

AB2C4D4E27F28 (1)

Weight, g/mol:

564.150112

ΔHf, kcal/mol:

-102.85

Dipole, Da:

6.35

IP(EA), eV:

 -8.41(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CN(CC4)C(=O)C)C(=O)N2C5=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations