Geometry & MOs

Info

ID:	62797
PubChem CID:	26736875
Reduced:	OSCl2N3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	357.128883
ΔH_f, kcal/mol:	30.82
Dipole, Da:	3.14
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC(=CS2)CC(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations