Geometry & MOs

Info

ID:	224700
PubChem CID:	85346957
Reduced:	O3N6C23H34 (1)
Stoich.:	A3B6C23D34 (1)
Weight, g/mol:	443.130363
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	3.53
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-3-[4-(naphthalen-1-ylsulfonylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C1=NC=CC(=N1)N2C(CN(CC2C)C3=NC(=CC(=N3)COC)C)C

DOS

IR

Vibrations