Geometry & MOs

Info

ID:	302369
PubChem CID:	124361439
Reduced:	SCl3O3N4C19H19 (1)
Stoich.:	AB3C3D4E19F19 (1)
Weight, g/mol:	417.215138
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	5.69
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4,8-trimethyl-2-oxochromen-7-yl) (2R,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)C4=CC=CO4

DOS

IR

Vibrations