Geometry & MOs

Info

ID:	42003
PubChem CID:	8148098
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	4.28
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)N(C)CC4=CC=C(C=C4)OCC=C

DOS

IR

Vibrations