Geometry & MOs

Info

ID:	180812
PubChem CID:	76689531
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	364.101227
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	2.53
IP(EA), eV:	-8.76(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)sulfanyl-4-hydroxyimino-2-methyl-5,6,7,7a-tetrahydro-3aH-indol-1-yl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N1CC(=O)O)CCCC2=NO

DOS

IR

Vibrations