Geometry & MOs

Info

ID:	70984
PubChem CID:	48414144
Reduced:	SO3N6C19H26 (1)
Stoich.:	AB3C6D19E26 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	5.44
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations