Geometry & MOs

Info

ID:	148164
PubChem CID:	53787826
Reduced:	OS3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	518.172083
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	3.63
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enyl] 3-O-methyl 4-(2-chloropyridin-3-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC=CC1=C(C=C(C=C1)OC(S)S)S

DOS

IR

Vibrations