Geometry & MOs

Info

ID:	124126
PubChem CID:	50872821
Reduced:	ClSN2O4H13C21 (1)
Stoich.:	ABC2D4E13F21 (1)
Weight, g/mol:	405.92753
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	6.19
IP(EA), eV:	-9.19(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4Cl)C(=O)O

DOS

IR

Vibrations