Geometry & MOs

Info

ID:	153701
PubChem CID:	56312999
Reduced:	FO2N3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	463.194106
ΔH_f, kcal/mol:	-105.19
Dipole, Da:	5.36
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations