Geometry & MOs

Info

ID:	302719
PubChem CID:	124393451
Reduced:	SN2O4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	491.08445
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	2.38
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[2-[(4-bromophenyl)methoxy]-4-(dimethylamino)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC(=O)NC4=CC(=C(C=C4)C)C)/SC2=O

DOS

IR

Vibrations