Geometry & MOs

Info

ID:	122555
PubChem CID:	50812177
Reduced:	ClFSO3N4H12C15 (1)
Stoich.:	ABCD3E4F12G15 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	8.98
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=O)C2=C(N1)NC(=O)CC2C(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations