Geometry & MOs

Info

ID:	155061
PubChem CID:	56320631
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	414.193691
ΔH_f, kcal/mol:	-147.74
Dipole, Da:	11.97
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations