Geometry & MOs

Info

ID:	193833
PubChem CID:	78444230
Reduced:	N3O7H19C20 (1)
Stoich.:	A3B7C19D20 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-208.51
Dipole, Da:	0.16
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-cyano-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2C(=O)C(CNC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations