Geometry & MOs

Info

ID:	323278
PubChem CID:	126673967
Reduced:	SP4N7O24C27H47 (1)
Stoich.:	AB4C7D24E27F47 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-1294.71
Dipole, Da:	3.06
IP(EA), eV:	-8.92(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butanoate

Drug info:

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCO)O.C(CO)C(=O)OP(=O)(O)O

DOS

IR

Vibrations