Geometry & MOs

Info

ID:	158347
PubChem CID:	56463459
Reduced:	O2N3H23C25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	447.146407
ΔH_f, kcal/mol:	-10.18
Dipole, Da:	5.98
IP(EA), eV:	-8.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations