Geometry & MOs

Info

ID:	328874
PubChem CID:	126728468
Reduced:	FNC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	3.13
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(Z)-3-(methylamino)-3-oxo-1-[2-[[4-(2-phenylethylamino)cyclohexyl]amino]pyrimidin-4-yl]prop-1-en-2-yl] methanethioate

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC2=CC3=C(C=C2)C=C(C=C3)F

DOS

IR

Vibrations