Geometry & MOs

Info

ID:	10162
PubChem CID:	98351
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	299.049526
ΔH_f, kcal/mol:	-25.61
Dipole, Da:	2.51
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)-1-nitrosourea

Drug info:

PubChemData

Smile

C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O

DOS

IR

Vibrations