Geometry & MOs

Info

ID:	269562
PubChem CID:	103617968
Reduced:	NF3O4C10H14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	283.103085
ΔH_f, kcal/mol:	-346.14
Dipole, Da:	7.46
IP(EA), eV:	-10.22(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)O)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations