Geometry & MOs

Info

ID:	146517
PubChem CID:	53699864
Reduced:	N2O5C30H32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	189.118735
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	8.85
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-hexyl N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC1(CC2C(C(=O)C1)C(=C3C(=N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)[N+](=O)[O-])OCC5=CC=CC=C5)C

DOS

IR

Vibrations