Geometry & MOs

Info

ID:	152320
PubChem CID:	56311227
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	57.6
Dipole, Da:	6.71
IP(EA), eV:	-9.19(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[cyclopropylmethyl(1-phenylethyl)amino]methyl]-8-methyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC3=CSC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations