Geometry & MOs

Info

ID:	70922
PubChem CID:	48414052
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	367.05315
ΔH_f, kcal/mol:	-120.55
Dipole, Da:	7.14
IP(EA), eV:	-9.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-ethoxy-5-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations