Geometry & MOs

Info

ID:	179476
PubChem CID:	76488796
Reduced:	N8O13C21H26 (1)
Stoich.:	A8B13C21D26 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-462.88
Dipole, Da:	5.49
IP(EA), eV:	-10.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-hydroxy-2-methylphenyl)-2-[5-(2-methylimidazo[4,5-c]pyridin-1-yl)pentanoylamino]propanoate

Drug info:

PubChemData

Smile

C1=NC2C(N1C3C(C(C(O3)COC(=O)C(C4C(C(C(O4)N5C=NC6C5NC(=O)NC6=O)O)O)O)O)O)NC(=O)NC2=O

DOS

IR

Vibrations