Geometry & MOs

Info

ID:	206826
PubChem CID:	80306095
Reduced:	FSO2N4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	300.140868
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	6.55
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)CCN2C(=NN=C2SCC(=O)O)N

DOS

IR

Vibrations