Geometry & MOs

Info

ID:	135026
PubChem CID:	51800052
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	408.155946
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	6.96
IP(EA), eV:	-9.13(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S,5S,6S)-6-hydroxy-4-(4-hydroxyphenyl)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4,5,7-tetrahydroindazol-3-olate

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=CO1)N(CC2=CC=C(O2)C)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations