Geometry & MOs

Info

ID:	155449
PubChem CID:	56365504
Reduced:	SN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-185.13
Dipole, Da:	3.52
IP(EA), eV:	-8.06(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-oxoazocan-1-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C(C)S(=O)(=O)C(C)C

DOS

IR

Vibrations