Geometry & MOs

Info

ID:	125438
PubChem CID:	50924160
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	477.109149
ΔH_f, kcal/mol:	43.31
Dipole, Da:	5.19
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)NC(=N2)C3=C(N=CC(=C3)C4=CN(N=C4)C5CCNCC5)N)OC

DOS

IR

Vibrations