Geometry & MOs

Info

ID:	414807
PubChem CID:	135087770
Reduced:	ClFSN2O4C15H20 (1)
Stoich.:	ABCD2E4F15G20 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-204.88
Dipole, Da:	4.68
IP(EA), eV:	-9.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(3,4-diethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations