Geometry & MOs

Info

ID:	70140
PubChem CID:	47208097
Reduced:	N2S2O3C12H20 (1)
Stoich.:	A2B2C3D12E20 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	2.01
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 4-[(carbamoylamino)methyl]benzoate

Drug info:

PubChemData

Smile

CCCNC(=O)CS(=O)(=O)CC1=CSC(=N1)C(C)C

DOS

IR

Vibrations