Geometry & MOs

Info

ID:	440798
PubChem CID:	135231500
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	376.093833
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	5.38
IP(EA), eV:	-8.03(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-(4-ethoxycarbonyl-3-methyl-1H-diazet-2-yl)phenyl]-5-methylimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations