Geometry & MOs

Info

ID:	336637
PubChem CID:	127255644
Reduced:	CaP2N10O16C36H48 (1)
Stoich.:	AB2C10D16E36F48 (1)
Weight, g/mol:	323.969086
ΔH_f, kcal/mol:	-651.1
Dipole, Da:	9.56
IP(EA), eV:	-4.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC.CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)OC(=O)CCC.[Ca]

DOS

IR

Vibrations