Geometry & MOs

Info

ID:	196715
PubChem CID:	78868417
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	420.171893
ΔH_f, kcal/mol:	36.18
Dipole, Da:	2.56
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NN=C2C(=O)NCCC3=CC=CC=N3

DOS

IR

Vibrations