Geometry & MOs

Info

ID:	168070
PubChem CID:	74920542
Reduced:	SN2O5H26C27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	489.172228
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	4.9
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[3-(2,4-dimethylphenyl)-6-methoxy-7-methyl-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=COC3=C(C(=C(C=C23)C(=CC(=O)NC4=CC=C(C=C4)S(=O)(=O)N)C)OC)C

DOS

IR

Vibrations