Geometry & MOs

Info

ID:	427405
PubChem CID:	135158397
Reduced:	SN3O5C33H49 (1)
Stoich.:	AB3C5D33E49 (1)
Weight, g/mol:	335.148121
ΔH_f, kcal/mol:	-232.73
Dipole, Da:	10.69
IP(EA), eV:	-9.45(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[amino(hydroxy)methyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCN(C(C[C@H](C1=NC(=CS1)C(=O)N[C@@H]2C[C@H](C3=CC=CC=C3C2)C(=O)O)OCCC)C(C)C)C(=O)C[C@@H](C)CC

DOS

IR

Vibrations