Geometry & MOs

Info

ID:	70786
PubChem CID:	48413871
Reduced:	SO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	2.95
IP(EA), eV:	-9.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(NN=C3)C)NC1=S

DOS

IR

Vibrations