Geometry & MOs

Info

ID:	347087
PubChem CID:	127271591
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	387.12642
ΔH_f, kcal/mol:	-41.18
Dipole, Da:	4.5
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2CCN1C(=O)NCC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations