Geometry & MOs

Info

ID:	194951
PubChem CID:	78612558
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-194.09
Dipole, Da:	6.36
IP(EA), eV:	-9.64(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

DOS

IR

Vibrations