Geometry & MOs

Info

ID:	245087
PubChem CID:	99437420
Reduced:	FSN4O5C22H25 (1)
Stoich.:	ABC4D5E22F25 (1)
Weight, g/mol:	454.201634
ΔH_f, kcal/mol:	-176.1
Dipole, Da:	2.47
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(3-fluoro-4-morpholin-4-ylphenyl)methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@@H](C1)C(=O)NCCS(=O)(=O)NCC2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations