Geometry & MOs

Info

ID:	70460
PubChem CID:	48413381
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	386.114772
ΔH_f, kcal/mol:	-187.93
Dipole, Da:	6.45
IP(EA), eV:	-9.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-(2-methoxy-5-nitrophenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C

DOS

IR

Vibrations