Geometry & MOs

Info

ID:	308303
PubChem CID:	125326049
Reduced:	SN5O5C19H23 (1)
Stoich.:	AB5C5D19E23 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-152.43
Dipole, Da:	7.54
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,5S)-1-[3-(dimethylamino)propyl]-4-[[(3R)-3,5-dimethyl-3H-pyrazol-4-yl]-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N[C@H]2C(=NC(=NC2=O)SCC(=O)NC[C@H]3CCCO3)N

DOS

IR

Vibrations