Geometry & MOs

Info

ID:	147031
PubChem CID:	53785927
Reduced:	SN2O5C8H12 (1)
Stoich.:	AB2C5D8E12 (1)
Weight, g/mol:	590.257927
ΔH_f, kcal/mol:	-220.19
Dipole, Da:	4.87
IP(EA), eV:	-11.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[(2R,4S)-1-hexyl-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(=O)NC1=O)S(=O)(=O)CC

DOS

IR

Vibrations