Geometry & MOs

Info

ID:	335530
PubChem CID:	127254392
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	454.185235
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	5.33
IP(EA), eV:	-8.24(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC(=O)C3=CC(=O)C(=CN3)OC)OC

DOS

IR

Vibrations