Geometry & MOs

Info

ID:	90056
PubChem CID:	49966042
Reduced:	OCl2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	319.054611
ΔH_f, kcal/mol:	47.89
Dipole, Da:	3.85
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(4-chlorobenzoyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations