Geometry & MOs

Info

ID:	402933
PubChem CID:	135057912
Reduced:	SP3N7O18C25H40 (1)
Stoich.:	AB3C7D18E25F40 (1)
Weight, g/mol:	304.185857
ΔH_f, kcal/mol:	-947.07
Dipole, Da:	2.24
IP(EA), eV:	-9.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-5-phenyl-2-propan-2-yl-3-trimethylsilylpent-2-enoate

Drug info:

PubChemData

Smile

CC(=O)CC(=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