Geometry & MOs

Info

ID:	44800
PubChem CID:	10505993
Reduced:	HSCl2O5C7F13 (1)
Stoich.:	ABC2D5E7F13 (1)
Weight, g/mol:	514.114933
ΔH_f, kcal/mol:	-874.45
Dipole, Da:	1.76
IP(EA), eV:	-12.05(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-[4-(4-chlorophenyl)phenyl]sulfonyl-N-trimethylsilyloxy-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F

DOS

IR

Vibrations