Geometry & MOs

Info

ID:	175137
PubChem CID:	75859623
Reduced:	N4O4C23H27 (1)
Stoich.:	A4B4C23D27 (1)
Weight, g/mol:	368.200788
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059987
Charge, e:	1

Chem-info

IUPAC name:

[1-cyclohexyl-2-[(3-methylsulfonylphenyl)carbamoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=CC=N2)NC(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

DOS

IR

Vibrations