Geometry & MOs

Info

ID:	344201
PubChem CID:	127267377
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	9.25
Dipole, Da:	6.22
IP(EA), eV:	-8.78(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-methyl-2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)sulfonyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=C(C=NN2C)C(=O)N3CCC4=C3C=CC(=N4)F)C

DOS

IR

Vibrations