Geometry & MOs

Info

ID:	243095
PubChem CID:	99215520
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	-50.59
Dipole, Da:	6.27
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-N-[(2R)-pentan-2-yl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C3=CC(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations