Geometry & MOs

Info

ID:	43831
PubChem CID:	10321858
Reduced:	NO4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	456.085492
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.885787
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-propan-2-yl 2-(carbamoyloxymethyl)-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C[N+]1(CC[C@]23C4C(=O)CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)OC)C

DOS

IR

Vibrations