Geometry & MOs

Info

ID:	395971
PubChem CID:	135027044
Reduced:	N5H23C27 (1)
Stoich.:	A5B23C27 (1)
Weight, g/mol:	504.226037
ΔH_f, kcal/mol:	163.33
Dipole, Da:	5.97
IP(EA), eV:	-8.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-butyl-5-[hydroxy(phenylmethoxycarbonyl)amino]-3-phenyl-1,2-oxazolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C=C2C(CC3=CC=CC(=N3)C)C(C#N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations