Geometry & MOs

Info

ID:	302630
PubChem CID:	124385435
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	447.168188
ΔH_f, kcal/mol:	-164.37
Dipole, Da:	2.85
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-methyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CCCC[C@]3(CCN2C(=O)C4=CC=CO4)O

DOS

IR

Vibrations