Geometry & MOs

Info

ID:	45011
PubChem CID:	10507165
Reduced:	NPC8O8H13 (2)
Stoich.:	ABC8D8E13 (2)
Weight, g/mol:	414.074879
ΔH_f, kcal/mol:	-825.88
Dipole, Da:	2.07
IP(EA), eV:	-9.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4,4-diphenyl-4-(trifluoromethylsulfonyloxy)but-2-enoate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O)O)O)O

DOS

IR

Vibrations