Geometry & MOs

Info

ID:	142217
PubChem CID:	53002157
Reduced:	FSN2O2H19C23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	432.114378
ΔH_f, kcal/mol:	-24.99
Dipole, Da:	4.78
IP(EA), eV:	-8.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methoxyphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=CS2)C3=CC=C(C=C3)F)N4C=CC=C4

DOS

IR

Vibrations