Geometry & MOs

Info

ID:	146396
PubChem CID:	53681324
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	532.135188
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	5.17
IP(EA), eV:	-9.49(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-[2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]-1H-pyridin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCN(C)S(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations