Geometry & MOs

Info

ID:	390694
PubChem CID:	135000396
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	17.92
Dipole, Da:	8.92
IP(EA), eV:	-8.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(1-methyl-4,7-dihydroindol-2-yl)-4-naphthalen-2-yl-2-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)N1[C@H](C1C=C)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations