Geometry & MOs

Info

ID:	228008
PubChem CID:	87563218
Reduced:	N5O9C26H29 (1)
Stoich.:	A5B9C26D29 (1)
Weight, g/mol:	221.033292
ΔH_f, kcal/mol:	-178.82
Dipole, Da:	8.21
IP(EA), eV:	-9.54(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanopropyl benzenecarbodithioate

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=C/C(=C/3\C(=CC(=O)C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)/ON2)CCCCNC(=O)O

DOS

IR

Vibrations