Geometry & MOs

Info

ID:	131384
PubChem CID:	51199421
Reduced:	FSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	361.088498
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	2.66
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCOCC3)F

DOS

IR

Vibrations