Geometry & MOs

Info

ID:	396115
PubChem CID:	135027430
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	422.248851
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	4.67
IP(EA), eV:	-9.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-1-en-3-yl] 2-[(4-methoxyphenyl)methoxy]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2[C@@H]([C@H]([C@@H](N2)C(=O)OC)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations