Geometry & MOs

Info

ID:	137377
PubChem CID:	52201510
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	3.85
IP(EA), eV:	-8.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(E)-3-oxo-3-[4-(pyridin-3-ylmethylsulfanyl)anilino]prop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)O[C@H](C)C(=O)NNC(=O)C2=CC=C(C=C2)N3C=C(C=N3)C

DOS

IR

Vibrations