Geometry & MOs

Info

ID:	449634
PubChem CID:	135300175
Reduced:	ClFO3N7C31H33 (1)
Stoich.:	ABC3D7E31F33 (1)
Weight, g/mol:	422.176106
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	1.97
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(Z)-2-chloro-1-[1-(furan-2-yl)ethylamino]prop-1-enyl]-4-(methylideneamino)phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)N5CCN(CC5)C(CNC(=O)C)C(=O)OC

DOS

IR

Vibrations