Geometry & MOs

Info

ID:	159881
PubChem CID:	57288850
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	415.174336
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	5.72
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-ethyl-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(C1)C2=CC=CC(=C2)C[C@@H](C(=O)CO)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations