Geometry & MOs

Info

ID:

179166

PubChem CID:

76444704

Reduced:

NSCl2O3C10H16 (1)

Stoich.:

ABC2D3E10F16 (1)

Weight, g/mol:

174.111676

ΔHf, kcal/mol:

-153.96

Dipole, Da:

6.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756073

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N'-nitramido-N-propylmethanimidamide

Drug info:

PubChemData

Smile

CC1CC(C[N+]1(C(=O)C(C)CS)C(=O)O)(Cl)Cl

DOS

IR

Vibrations