Geometry & MOs

Info

ID:	405588
PubChem CID:	135074596
Reduced:	SiO5C28H42 (1)
Stoich.:	AB5C28D42 (1)
Weight, g/mol:	381.05757
ΔH_f, kcal/mol:	-145.52
Dipole, Da:	2.52
IP(EA), eV:	-9.23(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenylmethoxycarbonylamino)propyl 6-bromohex-5-ynoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C#CC#CCCC=C(C)C)[C@@H]1[C@@H](O1)[C@@H](/C=C\COCC=C)OC(=O)C

DOS

IR

Vibrations