Geometry & MOs

Info

ID:	62217
PubChem CID:	26718310
Reduced:	Cl2N3O4H15C23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-94.25
Dipole, Da:	7.86
IP(EA), eV:	-8.7(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations