Geometry & MOs

Info

ID:	229428
PubChem CID:	87567629
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	533.275053
ΔH_f, kcal/mol:	9.95
Dipole, Da:	3.44
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenylmethoxycarbonylamino 3-[ethyl-[6-[propyl(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)amino]pyrimidin-4-yl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=NC=CN=C2

DOS

IR

Vibrations