Geometry & MOs

Info

ID:	229857
PubChem CID:	87569374
Reduced:	S2O7N12C52H54 (1)
Stoich.:	A2B7C12D52E54 (1)
Weight, g/mol:	332.159689
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	3.16
IP(EA), eV:	-8.52(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-amino-4-morpholin-4-ylpteridine-6-carboxylate

Drug info:

Smile

CCN1C2=CC=CC=C2C3=C1C(=CC(=C3)C(CCNC(=O)C4CN(CCN4S(=O)(=O)C5=CC=CS5)C(=O)OC(CC(C6=CC7=C(C(=C6)C(=O)N)N(C8=CC=CC=C87)CC)N9C=CN=C9)N)N1C=CN=C1)C(=O)N

DOS

IR

Vibrations