Geometry & MOs

Info

ID:	81527
PubChem CID:	49854829
Reduced:	BrSO3N4H23C28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	8.95
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(3-acetylphenyl)methylideneamino]-4-(dimethylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)S(=O)(=O)N2C3=CN=C4C=CC(=CC4=C3N(C2=O)C5=CC=C(C=C5)C(C)(C)C#N)Br)C

DOS

IR

Vibrations