Geometry & MOs

Info

ID:	70461
PubChem CID:	48413382
Reduced:	SN2O7C16H22 (1)
Stoich.:	AB2C7D16E22 (1)
Weight, g/mol:	404.080885
ΔH_f, kcal/mol:	-189.81
Dipole, Da:	8.3
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations