Geometry & MOs

Info

ID:	181730
PubChem CID:	76784540
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	420.105227
ΔH_f, kcal/mol:	-140.13
Dipole, Da:	4.87
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-isocyano-2-methylphenyl)methyl]-N-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-hydroxybutanamide

Drug info:

PubChemData

Smile

C1CSC(N1C(=O)OCC2=CC=CC=C2)OC=O

DOS

IR

Vibrations