Geometry & MOs

Info

ID:	352680
PubChem CID:	127283769
Reduced:	SN2O3C21H38 (1)
Stoich.:	AB2C3D21E38 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	8.89
IP(EA), eV:	-9.42(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[[(2-tert-butylcyclohexyl)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(C)(C)C1CCCCC1NCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations