Geometry & MOs

Info

ID:	45876
PubChem CID:	10518517
Reduced:	PN5O5C9H14 (1)
Stoich.:	AB5C5D9E14 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-202.38
Dipole, Da:	3.94
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzyl-1-[(2S)-2-hydroxy-3-methylbutanoyl]-3-methoxy-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)CCOC(CO)P(=O)(O)O)N

DOS

IR

Vibrations