Geometry & MOs

Info

ID:	70448
PubChem CID:	48413366
Reduced:	ClSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	301.109627
ΔH_f, kcal/mol:	-110.17
Dipole, Da:	6.21
IP(EA), eV:	-9.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl(1H-pyrazol-4-ylsulfonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)S(=O)(=O)C2=C(N=C3N2C=CC=C3)Cl

DOS

IR

Vibrations