Geometry & MOs

Info

ID:	156841
PubChem CID:	56394676
Reduced:	BrClN2O2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	488.147804
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	2.44
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations