Geometry & MOs

Info

ID:	26368
PubChem CID:	645426
Reduced:	O2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	30.89
Dipole, Da:	2.41
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4

DOS

IR

Vibrations