Geometry & MOs

Info

ID:	47146
PubChem CID:	10529969
Reduced:	P2O9C23H38 (1)
Stoich.:	A2B9C23D38 (1)
Weight, g/mol:	520.199822
ΔH_f, kcal/mol:	-555.42
Dipole, Da:	4.42
IP(EA), eV:	-9.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,6-dimethyl-4-[3-(4-oxochromen-2-yl)phenyl]-5-(phenylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OC(=O)CCC(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations