Geometry & MOs

Info

ID:	62880
PubChem CID:	26737411
Reduced:	S2N3O3H21C24 (1)
Stoich.:	A2B3C3D21E24 (1)
Weight, g/mol:	478.136257
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	5.13
IP(EA), eV:	-8.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations