Geometry & MOs

Info

ID:	245091
PubChem CID:	99437432
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	387.139448
ΔH_f, kcal/mol:	-158.11
Dipole, Da:	7.61
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(2,6-difluorophenyl)-methylcarbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations