Geometry & MOs

Info

ID:	343364
PubChem CID:	127266537
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	337.089641
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	2.09
IP(EA), eV:	-9.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[1-(4-fluorobenzoyl)cyclopropyl]pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(CO)(C1CCCCC1)NC(=O)C=CC2=CC=NN2C

DOS

IR

Vibrations