Geometry & MOs

Info

ID:	353187
PubChem CID:	127284367
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	5.61
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-benzofuran-2-yl)propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N)C(=O)CCN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations