Geometry & MOs

Info

ID:	300369
PubChem CID:	121270491
Reduced:	ClO3N4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	451.232777
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	4.83
IP(EA), eV:	-8.63(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[dideuterio-[4-(furan-2-yl)phenyl]methyl]-propan-2-ylcarbamoyl]phenoxy]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Cl)C(=O)N1C3=CN=CC(=C3)N4CC5(C4)CN(C5)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations