Geometry & MOs

Info

ID:	218498
PubChem CID:	85089537
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	473.209676
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(benzylsulfonylamino)-2-hydroxyazepan-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(C=C1CC(=O)N(C)C(CN3CCCC3)C4=CC=CC=C4)OCO2

DOS

IR

Vibrations