Geometry & MOs

Info

ID:	60572
PubChem CID:	26697209
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-44.6
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethylphenyl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations