Geometry & MOs

Info

ID:	230327
PubChem CID:	87570661
Reduced:	N3O6C33H47 (1)
Stoich.:	A3B6C33D47 (1)
Weight, g/mol:	246.073953
ΔH_f, kcal/mol:	-183.56
Dipole, Da:	7.07
IP(EA), eV:	-8.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carboxyoxybut-3-enoxy)ethyl ethenyl carbonate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](CNC2=C(C(=O)C2=O)NCCCC3=CC=CC=C3)O)N

DOS

IR

Vibrations