Geometry & MOs

Info

ID:	342897
PubChem CID:	127266060
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	346.11627
ΔH_f, kcal/mol:	-5.03
Dipole, Da:	2.54
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-difluoro-2-methoxyphenyl)-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNCC1=NOC(=C1)COC)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations