Geometry & MOs

Info

ID:	124878
PubChem CID:	50901082
Reduced:	N2O2S3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	282.117984
ΔH_f, kcal/mol:	9.39
Dipole, Da:	4.4
IP(EA), eV:	-8.72(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2C(=C(NC(=O)N2)C3=CC=CS3)C(=S)SC

DOS

IR

Vibrations