Geometry & MOs

Info

ID:	311778
PubChem CID:	126597679
Reduced:	SN3O5C14H25 (1)
Stoich.:	AB3C5D14E25 (1)
Weight, g/mol:	508.06586
ΔH_f, kcal/mol:	-223.4
Dipole, Da:	4.73
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(1R)-1-(3-bromophenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

CCN(C(C)C[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N(C)C)O)O)C(=O)O

DOS

IR

Vibrations