Geometry & MOs

Info

ID:	231193
PubChem CID:	87572921
Reduced:	SN4O7C22H32 (1)
Stoich.:	AB4C7D22E32 (1)
Weight, g/mol:	488.150524
ΔH_f, kcal/mol:	-188.78
Dipole, Da:	8.54
IP(EA), eV:	-8.55(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[3-fluoro-4-(methanesulfonamido)phenyl]ethyl]-3-[2-(propan-2-ylamino)-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(CCOCCO)CCOCCOCCO)N=NC2=[N+](C=CS2)CC(=O)[O-]

DOS

IR

Vibrations