Geometry & MOs

Info

ID:	366575
PubChem CID:	127320104
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	358.21689
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	6.87
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations