Geometry & MOs

Info

ID:	30864
PubChem CID:	842043
Reduced:	S2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	344.137222
ΔH_f, kcal/mol:	53.2
Dipole, Da:	7.17
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-6-amino-5-cyano-4-[4-methoxy-3-(methoxymethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=C(S2)SC#N

DOS

IR

Vibrations