Geometry & MOs

Info

ID:	394945
PubChem CID:	135024201
Reduced:	SiO4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	315.183444
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	5.68
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R,3R,5Z,8R)-2-ethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-2-isocyanoethanol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCCC1=C(OC(=O)O1)C2=CC=CC=C2

DOS

IR

Vibrations