Geometry & MOs

Info

ID:	46405
PubChem CID:	10524278
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	387.215601
ΔH_f, kcal/mol:	141.55
Dipole, Da:	3.38
IP(EA), eV:	-9.14(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl (4R,5S)-5-deuterio-4,5-bis(4-methoxyphenyl)heptanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@H](N2CC#C)C3=CC=C(C=C3)C)[N+](=O)[O-])NCC#C

DOS

IR

Vibrations