Geometry & MOs

Info

ID:	155393
PubChem CID:	56354933
Reduced:	O2N8H22C23 (1)
Stoich.:	A2B8C22D23 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	70.45
Dipole, Da:	5.47
IP(EA), eV:	-9.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=NC=C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations