Geometry & MOs

Info

ID:	33287
PubChem CID:	7885835
Reduced:	O2S2N3C21H27 (1)
Stoich.:	A2B2C3D21E27 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-62.78
Dipole, Da:	4.2
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

DOS

IR

Vibrations