Geometry & MOs

Info

ID:	336617
PubChem CID:	127255624
Reduced:	N2O2F3C25H25 (1)
Stoich.:	A2B2C3D25E25 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-169.35
Dipole, Da:	5.72
IP(EA), eV:	-8.27(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,3aS)-3-[2-(methylamino)-2-oxoethyl]-2-oxo-1-[(4-phenylphenyl)methyl]-3,4,5,6-tetrahydroindole-3a-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)/C=C\C(=O)O)F)NC4=CC=CC=C24

DOS

IR

Vibrations