Geometry & MOs

Info

ID:	36740
PubChem CID:	8012037
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	54.87
Dipole, Da:	5.85
IP(EA), eV:	-8.76(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations