Geometry & MOs

Info

ID:	234464
PubChem CID:	92298488
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	361.152537
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	4.77
IP(EA), eV:	-9.89(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@@H]([C@@H]1CC[C@@]2(C)O)CCC4=CC(=O)C[C@@]34C

DOS

IR

Vibrations