Geometry & MOs

Info

ID:	185746
PubChem CID:	77342759
Reduced:	O14C17H34 (1)
Stoich.:	A14B17C34 (1)
Weight, g/mol:	441.226371
ΔH_f, kcal/mol:	-653.56
Dipole, Da:	5.37
IP(EA), eV:	-10.19(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutylmethyl)-4-oxo-4-[(8-oxo-4-oxa-1,7-diazatricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCO.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COCC(CO)O)O)O)O)O

DOS

IR

Vibrations