Geometry & MOs

Info

ID:	358507
PubChem CID:	127296103
Reduced:	SO3N4C17H32 (1)
Stoich.:	AB3C4D17E32 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-151.42
Dipole, Da:	4.82
IP(EA), eV:	-8.74(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations