Geometry & MOs

Info

ID:	186933
PubChem CID:	77506957
Reduced:	SO3N4C24H42 (1)
Stoich.:	AB3C4D24E42 (1)
Weight, g/mol:	531.259403
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	5.25
IP(EA), eV:	-8.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-bis(3-methylmorpholin-4-yl)pyrimidin-4-yl]-4-(N-carbamoylanilino)benzamide

Drug info:

PubChemData

Smile

CCCCC1=CN(SC1=NC(=O)C2(CCC(C2(C)C)NC(=O)NCC(C)O)C)C(C)(C)C

DOS

IR

Vibrations