Geometry & MOs

Info

ID:	338530
PubChem CID:	127259222
Reduced:	SN2O6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	3.34
IP(EA), eV:	-9.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropylcarbamoylsulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCS(=O)(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations