Geometry & MOs

Info

ID:	221607
PubChem CID:	85285706
Reduced:	SN3O4H9C11 (2)
Stoich.:	AB3C4D9E11 (2)
Weight, g/mol:	558.236601
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	16.51
IP(EA), eV:	-8.08(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-benzhydryl 1-O-tert-butyl 3-hydroxy-2-(phenylmethoxycarbonylamino)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

Drug info:

PubChemData

Smile

C1C=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC3=CC(=C4C=CC(=O)C(=C4)O)NO3)C5=CSC(=N5)N)C(=O)O

DOS

IR

Vibrations