Geometry & MOs

Info

ID:	235016
PubChem CID:	92303886
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	420.241293
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	7.97
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)CC(C)(C)C)F

DOS

IR

Vibrations