Geometry & MOs

Info

ID:	18162
PubChem CID:	538623
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	4.29
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepane-1-carbonyl)-4-phenylthiophen-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations