Geometry & MOs

Info

ID:	56858
PubChem CID:	22394441
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	464.059756
ΔH_f, kcal/mol:	-33.35
Dipole, Da:	4.59
IP(EA), eV:	-8.32(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-phenylmethoxyindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC1CCN(CC1)C(=O)C2=CC3=CC=CC=C3N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations