Geometry & MOs

Info

ID:	143914
PubChem CID:	53282217
Reduced:	SN2O6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-219.53
Dipole, Da:	5.07
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCCN(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C

DOS

IR

Vibrations