Geometry & MOs

Info

ID:	44075
PubChem CID:	10500656
Reduced:	NPO4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	391.199488
ΔH_f, kcal/mol:	-247.24
Dipole, Da:	6.86
IP(EA), eV:	-9.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3S,6S)-6-[(1R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-methyl-3,6-dihydro-2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OP(=O)(CCC(=O)O)C(CC4=CC=CC=C4)N

DOS

IR

Vibrations