Geometry & MOs

Info

ID:	147608
PubChem CID:	53787264
Reduced:	OSN3C24H27 (1)
Stoich.:	ABC3D24E27 (1)
Weight, g/mol:	182.985384
ΔH_f, kcal/mol:	17.68
Dipole, Da:	1.59
IP(EA), eV:	-8.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloropropanoyl)-N-methylcarbamoyl chloride

Drug info:

PubChemData

Smile

CCCC1(CCC(=O)NC2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=NC=C4)CCC

DOS

IR

Vibrations