Geometry & MOs

Info

ID:

183709

PubChem CID:

77060440

Reduced:

SO2N5C8H13 (1)

Stoich.:

AB2C5D8E13 (1)

Weight, g/mol:

158.062618

ΔHf, kcal/mol:

2.23

Dipole, Da:

6.66

IP(EA), eV:

-9.48(-1.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-cyanopropyl N'-aminocarbamimidothioate

Drug info:

PubChemData

Smile

CCC(CC(=NO)N)NC(=O)C1=CN=NS1

DOS

IR

Vibrations