Geometry & MOs

Info

ID:	178347
PubChem CID:	76313982
Reduced:	FSN2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	503.183651
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	5.48
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[2-chloro-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CCNS(=O)(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations