Geometry & MOs

Info

ID:	237678
PubChem CID:	92720575
Reduced:	N3O6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	483.146407
ΔH_f, kcal/mol:	-189.56
Dipole, Da:	9.39
IP(EA), eV:	-9.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C(C)(C)C

DOS

IR

Vibrations