Geometry & MOs

Info

ID:	375658
PubChem CID:	134220706
Reduced:	ClNSO3H16C19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	573.188684
ΔH_f, kcal/mol:	-80.92
Dipole, Da:	5.47
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[3-[6-(ethylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]phenyl]-hydroxymethyl]amino]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)C(=O)C(=C(N2)SC3=CC=CC=C3OC)C(=O)C

DOS

IR

Vibrations