Geometry & MOs

Info

ID:	81778
PubChem CID:	49855141
Reduced:	ClSO3N4H21C27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-7.38
Dipole, Da:	2.11
IP(EA), eV:	-9.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenyl]methylideneamino]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)Cl

DOS

IR

Vibrations