Geometry & MOs

Info

ID:	396529
PubChem CID:	135028650
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	316.157563
ΔH_f, kcal/mol:	61.77
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(1R,4S,7R)-4-phenyl-3,9-diazatricyclo[5.3.0.01,3]dec-5-en-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C=C/C2=CC=CC=C2)CC3=NC3

DOS

IR

Vibrations