Geometry & MOs

Info

ID:	229616
PubChem CID:	87568182
Reduced:	ClSO3N7C19H20 (1)
Stoich.:	ABC3D7E19F20 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	33.01
Dipole, Da:	5.58
IP(EA), eV:	-9.19(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(E)-3-[4-[(Z)-3-(cyclopropylamino)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]-N-hydroxyhexanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2C3=NC=NC(=C3N=C2SC4=C(C=CC(=C4)[N+](=O)[O-])Cl)N)C=O

DOS

IR

Vibrations