Geometry & MOs

Info

ID:	443315
PubChem CID:	135258534
Reduced:	ClOSN5C21H26 (1)
Stoich.:	ABCD5E21F26 (1)
Weight, g/mol:	379.92464
ΔH_f, kcal/mol:	70.8
Dipole, Da:	4.19
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N,N'-diiodo-3-methylbutanimidamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC=C2)C(=S)N/N=C\3/CCO/C(=C(/C)\Cl)/C3=NC=C

DOS

IR

Vibrations