Geometry & MOs

Info

ID:	166045
PubChem CID:	74629822
Reduced:	SN2O5C23H30 (1)
Stoich.:	AB2C5D23E30 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	7.15
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-[3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoylamino]phenyl]butanamide

Drug info:

PubChemData

Smile

CCC(C)N(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC

DOS

IR

Vibrations