Geometry & MOs

Info

ID:	123230
PubChem CID:	50838696
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	463.123563
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	1.59
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(6-cyclohexylsulfonylpyridazin-3-yl)sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)N1C=CC2=C(C1=O)N(N=C2C)CC

DOS

IR

Vibrations