Geometry & MOs

Info

ID:	37075
PubChem CID:	8016536
Reduced:	NO3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	400.176013
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899951
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

C[N+]1(CC[C@@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O)C

DOS

IR

Vibrations