Geometry & MOs

Info

ID:	310875
PubChem CID:	126588342
Reduced:	S3N4O4C21H28 (1)
Stoich.:	A3B4C4D21E28 (1)
Weight, g/mol:	268.134241
ΔH_f, kcal/mol:	-76.3
Dipole, Da:	5.55
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-chloro-N-[(E)-(4-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methylideneamino]-N-methylbut-1-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2NC(ON2)C3CC3)S(=O)(=O)N4CCC(CC4)C(=O)NCC5=CC=CS5

DOS

IR

Vibrations