Geometry & MOs

Info

ID:	411692
PubChem CID:	135084526
Reduced:	SP3N7O19C25H40 (1)
Stoich.:	AB3C7D19E25F40 (1)
Weight, g/mol:	442.130649
ΔH_f, kcal/mol:	-975.86
Dipole, Da:	13.43
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1C(C([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

DOS

IR

Vibrations