Geometry & MOs

Info

ID:	33761
PubChem CID:	7887977
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	372.060235
ΔH_f, kcal/mol:	9.36
Dipole, Da:	4.24
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydroxyphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)C

DOS

IR

Vibrations