Geometry & MOs

Info

ID:	154355
PubChem CID:	56313772
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	447.199191
ΔH_f, kcal/mol:	13.56
Dipole, Da:	7.11
IP(EA), eV:	-9.02(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)CN3C=NC=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations