Geometry & MOs

Info

ID:	33814
PubChem CID:	7888242
Reduced:	ON3S3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	25.53
Dipole, Da:	2.02
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC=CC=C4SC

DOS

IR

Vibrations