Geometry & MOs

Info

ID:	437571
PubChem CID:	135226616
Reduced:	NS2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	3.66
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(8-methyldibenzothiophen-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)[C@](C)(CC(=O)OC)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations