Geometry & MOs

Info

ID:	177882
PubChem CID:	76249189
Reduced:	SO3N6H18C23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	72.21
Dipole, Da:	6.87
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC5=NC=C(C=C5)S(=O)(=O)N

DOS

IR

Vibrations