Geometry & MOs

Info

ID:	305345
PubChem CID:	124771950
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	373.127385
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	9.19
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (4R,5R,6S)-6-hydroxy-6-methyl-4-(3-nitrophenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)C2=NN(C3=C2CS(=O)(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations