Geometry & MOs

Info

ID:	46318
PubChem CID:	10523871
Reduced:	NO6H19C21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	381.1536
ΔH_f, kcal/mol:	-169.69
Dipole, Da:	2.3
IP(EA), eV:	-8.4(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-(3-acetamido-4-acetyloxy-5-aminophenyl)-2-(methoxycarbonylamino)propyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H]([C@@H](C2=O)C3[C@H](COC3=O)C4=CC=CC=C4)OC=O

DOS

IR

Vibrations