Geometry & MOs

Info

ID:	419619
PubChem CID:	135108554
Reduced:	FN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	4.88
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[4-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CCNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations