Geometry & MOs

Info

ID:	65148
PubChem CID:	29204533
Reduced:	SN4O5H22C24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	495.146407
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	6.91
IP(EA), eV:	-8.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=CC2=O)S(=O)(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations