Geometry & MOs

Info

ID:	135647
PubChem CID:	51908954
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	498.096056
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	6.41
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 3-O,5-O-dimethyl 2,6-dimethyl-1,4-dihydropyridine-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)O[C@@H](C)C(=O)C2=CC3=C(CCC3)C=C2)C

DOS

IR

Vibrations