Geometry & MOs

Info

ID:	312248
PubChem CID:	126603880
Reduced:	N2O6C23H38 (1)
Stoich.:	A2B6C23D38 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-239.29
Dipole, Da:	4.2
IP(EA), eV:	-9.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5-pent-4-enoyloxyphenyl) hex-5-ynoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC)NC(=O)O[C@@H]1CCC2(CO2)[C@H]([C@@H]1OC)C3([C@H](O3)CC=C(C)C)C

DOS

IR

Vibrations