Geometry & MOs

Info

ID:	406409
PubChem CID:	135077519
Reduced:	PO4C30H35 (1)
Stoich.:	AB4C30D35 (1)
Weight, g/mol:	389.106372
ΔH_f, kcal/mol:	-155.41
Dipole, Da:	1.28
IP(EA), eV:	-9.2(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[(R)-chloromethylsulfinyl]-3-(oxan-2-yloxy)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC#CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OP(=O)(OCC)OCC

DOS

IR

Vibrations