Geometry & MOs

Info

ID:	336163
PubChem CID:	127255170
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	504.146741
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	8.8
IP(EA), eV:	-8.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=CC3=C(C=C2)NC(=O)C(=O)N3

DOS

IR

Vibrations