Geometry & MOs

Info

ID:	434594
PubChem CID:	135175283
Reduced:	SO4N5C26H37 (1)
Stoich.:	AB4C5D26E37 (1)
Weight, g/mol:	223.087625
ΔH_f, kcal/mol:	-158.77
Dipole, Da:	3.64
IP(EA), eV:	-9.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-chlorophenyl)methyl]-N-(methyliminomethyl)ethanimidamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@]3(C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)N)O)C

DOS

IR

Vibrations