Geometry & MOs

Info

ID:	188506
PubChem CID:	77725644
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	509.145442
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	1.28
IP(EA), eV:	-9.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3-fluorophenyl)sulfonyl-(3-oxoazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CNC(=O)NC1=CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations