Geometry & MOs

Info

ID:	151136
PubChem CID:	53790834
Reduced:	SN3O5C26H37 (1)
Stoich.:	AB3C5D26E37 (1)
Weight, g/mol:	374.048106
ΔH_f, kcal/mol:	-180.85
Dipole, Da:	7.23
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[chloro(difluoro)methoxy]-2-nitrobenzoyl]-4,4-dimethyl-3-oxopentanenitrile

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCCCN=C(C2=CC=CC=C2)N)C(=O)O

DOS

IR

Vibrations