Geometry & MOs

Info

ID:	228137
PubChem CID:	87563511
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-133.14
Dipole, Da:	7.44
IP(EA), eV:	-8.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamidoanilino)-4-[hydroxy(1-phenylpropan-2-yl)amino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)OC(C)(C)C)C(=O)C2CCC3CCCC=C3N2

DOS

IR

Vibrations