Geometry & MOs

Info

ID:	378475
PubChem CID:	134224558
Reduced:	SF2N3O7C38H43 (1)
Stoich.:	AB2C3D7E38F43 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-349.2
Dipole, Da:	9.39
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iminoethyl)-4-methoxy-6-(2,4,6-trimethylanilino)pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCC1CNC(=O)C2=CC=CC(=C2)C3=C(C=C4C(=C3)C(=C(O4)C5=CC=C(C=C5)F)C(=O)NC)N(CCF)S(=O)(=O)C

DOS

IR

Vibrations