Geometry & MOs

Info

ID:	309940
PubChem CID:	126568635
Reduced:	O2N4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	481.190066
ΔH_f, kcal/mol:	22.62
Dipole, Da:	2.95
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-cyclopropyl-3-[3-[[4-(cyclopropylmethoxy)-5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=C(C=NC=C2)/C=C/C(=O)NC3=CC=CC(=C3)CO

DOS

IR

Vibrations