Geometry & MOs

Info

ID:	44458
PubChem CID:	10503649
Reduced:	SN2O5C23H32 (1)
Stoich.:	AB2C5D23E32 (1)
Weight, g/mol:	448.282489
ΔH_f, kcal/mol:	-224.34
Dipole, Da:	3.9
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(1S,2S,3R)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-2-methyl-3-phenylmethoxybutyl]-2,5-dimethylhex-4-enoate

Drug info:

PubChemData

Smile

CCC[C@H]1CCC[C@@H](C(=O)N1CC(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)SC(=O)C

DOS

IR

Vibrations