Geometry & MOs

Info

ID:	218305
PubChem CID:	85089151
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	446.097014
ΔH_f, kcal/mol:	-75.17
Dipole, Da:	6.24
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-N-(5-formyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(=NOCCOC1=CC=CC(=C1C)CC(=O)O)C2=CC=C(C=C2)C3=CC=CC=N3

DOS

IR

Vibrations