Geometry & MOs

Info

ID:	188231
PubChem CID:	77686480
Reduced:	O7C27H42 (1)
Stoich.:	A7B27C42 (1)
Weight, g/mol:	422.165328
ΔH_f, kcal/mol:	-307.62
Dipole, Da:	4.04
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[4-(4,4-difluoro-3-hydroxycyclohexa-1,5-dien-1-yl)but-1-enyl]-5-oxopyrrolidin-1-yl]propyl]-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCOC1=C(C=CC(=C1OCCCCCC)OCCCC(C(=O)C)O)C=CC(=O)O

DOS

IR

Vibrations