Geometry & MOs

Info

ID:	188130
PubChem CID:	77670782
Reduced:	FSO5N6C21H29 (1)
Stoich.:	ABC5D6E21F29 (1)
Weight, g/mol:	379.120192
ΔH_f, kcal/mol:	-162.49
Dipole, Da:	11.83
IP(EA), eV:	-9.41(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2C(C(NC(N2)C(C)C)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C(=O)N(C1=O)C

DOS

IR

Vibrations