Geometry & MOs

Info

ID:	146821
PubChem CID:	53755410
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	445.105605
ΔH_f, kcal/mol:	-52.16
Dipole, Da:	3.33
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N(C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C=C(C=C3)C#N)C(=O)O

DOS

IR

Vibrations