Geometry & MOs

Info

ID:	243141
PubChem CID:	99215962
Reduced:	SO2N5H23C24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	29.7
Dipole, Da:	7.86
IP(EA), eV:	-8.87(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(prop-2-enoylamino)methyl]-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

C1[C@H](N(CS1)C(=O)C2=CNC3=CC=CC=C32)C(=O)NCCC4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations