Geometry & MOs

Info

ID:	437570
PubChem CID:	135226615
Reduced:	NOS2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	417.143236
ΔH_f, kcal/mol:	4.28
Dipole, Da:	3.42
IP(EA), eV:	-8.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[[(R)-tert-butylsulfinyl]amino]-3-(8-methyldibenzothiophen-2-yl)butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations