Geometry & MOs

Info

ID:	336903
PubChem CID:	127255910
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	575.218012
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	7.76
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C)/C(OC)OC

DOS

IR

Vibrations