Geometry & MOs

Info

ID:	228665
PubChem CID:	87565507
Reduced:	SN3O13C36H63 (2)
Stoich.:	AB3C13D36E63 (2)
Weight, g/mol:	251.082744
ΔH_f, kcal/mol:	-1303.74
Dipole, Da:	7.66
IP(EA), eV:	-9.09(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-methoxy-1-oxo-4-propan-2-ylsulfinylbutan-2-yl]carbamic acid

Drug info:

Smile

CC(=O)NC1([C@](OC([C@H](C1(C)COC[C@]2(C(C([C@@](C(O2)(C)CO)(C)O)(C)O)(C)O)C)O)(C)CO)(C)COC(=O)CCCCC3[C@@H]4[C@H](CS3)NC(=O)N4)C.CC(=O)NC1([C@@](OC([C@H](C1(C)COC[C@]2(C(C([C@@](C(O2)(C)CO)(C)O)(C)O)(C)O)C)O)(C)CO)(C)C(CCCC3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)OC)C

DOS

IR

Vibrations