Geometry & MOs

Info

ID:	33297
PubChem CID:	7885870
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	3.53
IP(EA), eV:	-8.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-diethylphenyl)-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

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4CC4

DOS

IR

Vibrations