Geometry & MOs

Info

ID:	245088
PubChem CID:	99437422
Reduced:	FN4O4C24H27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	428.125133
ΔH_f, kcal/mol:	-129.75
Dipole, Da:	2.62
IP(EA), eV:	-8.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@@H](C1)C(=O)NCC2=CC(=C(C=C2)N3CCOCC3)F)C4=CC=CC=C4

DOS

IR

Vibrations