Geometry & MOs

Info

ID:	194950
PubChem CID:	78612557
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-202.14
Dipole, Da:	4.93
IP(EA), eV:	-9.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations