Geometry & MOs

Info

ID:	357909
PubChem CID:	127295409
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	389.247855
ΔH_f, kcal/mol:	-85.0
Dipole, Da:	5.84
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(2-fluoro-4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations