Geometry & MOs

Info

ID:	148151
PubChem CID:	53787813
Reduced:	SO2N5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	487.23185
ΔH_f, kcal/mol:	5.9
Dipole, Da:	6.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.783236
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-5-[[(2R)-1-butoxy-3-methyl-1-oxobutan-2-yl]carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=CC(=CC=C2)OCCCNC3C(=N[S-](=N3)=O)N

DOS

IR

Vibrations