Geometry & MOs

Info

ID:	343473
PubChem CID:	127266646
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	341.115775
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	2.97
IP(EA), eV:	-9.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[(1-ethylpyrazol-4-yl)sulfonylamino]ethyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)C#CC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations