Geometry & MOs

Info

ID:	41766
PubChem CID:	8147056
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	24.86
Dipole, Da:	7.7
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]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

CC1=C(C(=O)N(C(=C1SC)C)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations