Geometry & MOs

Info

ID:	222096
PubChem CID:	85294001
Reduced:	NPO16C20H30 (1)
Stoich.:	ABC16D20E30 (1)
Weight, g/mol:	588.177766
ΔH_f, kcal/mol:	-790.73
Dipole, Da:	6.55
IP(EA), eV:	-10.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[3-cyano-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OP(=O)(O)O)OC(=O)C

DOS

IR

Vibrations