Geometry & MOs

Info

ID:	29132
PubChem CID:	831806
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	56.98
Dipole, Da:	4.35
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=NNC(=O)C2=CC=C(O2)CN3C=CC=N3

DOS

IR

Vibrations