Geometry & MOs

Info

ID:	325178
PubChem CID:	126681803
Reduced:	FOSN3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	4.12
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[3-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(C1=CC=NC=C1)C2=CC(=C(C=C2)F)N

DOS

IR

Vibrations