Geometry & MOs

Info

ID:	245084
PubChem CID:	99437406
Reduced:	O3N7H21C23 (1)
Stoich.:	A3B7C21D23 (1)
Weight, g/mol:	430.131091
ΔH_f, kcal/mol:	36.59
Dipole, Da:	7.09
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C(=C(C=N3)C#N)N)C4=CC=CC=C4

DOS

IR

Vibrations