Geometry & MOs

Info

ID:	151515
PubChem CID:	53837748
Reduced:	N3O7C21H21 (1)
Stoich.:	A3B7C21D21 (1)
Weight, g/mol:	515.189707
ΔH_f, kcal/mol:	-176.13
Dipole, Da:	2.58
IP(EA), eV:	-8.36(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-[3-[[3-(2,2-dimethylpropyl)-7-propyl-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)C1=CC(=CC=C1)N2C(=O)C=CC2=O)C(=O)NC3=C(N(C(=C3)O)O)O

DOS

IR

Vibrations