Geometry & MOs

Info

ID:	305452
PubChem CID:	124807309
Reduced:	SN2O2F3C21H23 (1)
Stoich.:	AB2C2D3E21F23 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-221.42
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2C[C@@H]3CCC[C@@]([C@H]3C2)(C4=CC(=CC=C4)C(F)(F)F)O

DOS

IR

Vibrations