Geometry & MOs

Info

ID:	302370
PubChem CID:	124361456
Reduced:	NO6C23H31 (1)
Stoich.:	AB6C23D31 (1)
Weight, g/mol:	417.215138
ΔH_f, kcal/mol:	-278.23
Dipole, Da:	2.62
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@H](C(=O)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)C)C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations