Geometry & MOs

Info

ID:	62809
PubChem CID:	26736973
Reduced:	FNSO3H14C17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-95.65
Dipole, Da:	3.39
IP(EA), eV:	-8.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3,4-dimethoxyphenyl)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)F)OC

DOS

IR

Vibrations