Geometry & MOs

Info

ID:	396185
PubChem CID:	135027656
Reduced:	ClO4C25H31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-173.82
Dipole, Da:	3.01
IP(EA), eV:	-8.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (3S,5S)-5-butyl-5-methoxy-3-phenyl-1,2-oxazolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC(=C(C)C)CC1=C2C=C(C=C(C2=C(C(=C1O)Cl)O)O)O)/C)C

DOS

IR

Vibrations