Geometry & MOs

Info

ID:	357892
PubChem CID:	127295392
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	4.52
IP(EA), eV:	-8.81(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations