Geometry & MOs

Info

ID:	147661
PubChem CID:	53787318
Reduced:	SCl2N2H6C9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	325.102233
ΔH_f, kcal/mol:	55.01
Dipole, Da:	2.64
IP(EA), eV:	-9.3(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dinitroanilino) 6-amino-6-iminohexanoate

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1Cl)C2=CC=C(S2)Cl

DOS

IR

Vibrations