Geometry & MOs

Info

ID:	437573
PubChem CID:	135226618
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	491.140042
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	2.89
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[[(R)-tert-butylsulfinyl]amino]-2,2-difluoro-3-(8-prop-1-ynyldibenzothiophen-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)[C@@]4(CC(=O)N(C(=N4)NC(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations