Geometry & MOs

Info

ID:	449956
PubChem CID:	135302803
Reduced:	ON6C23H24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	306.136176
ΔH_f, kcal/mol:	74.3
Dipole, Da:	6.15
IP(EA), eV:	-8.84(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(6-sulfanylhexanoylamino)acetyl]amino]ethyl N-aminocarbamate

Drug info:

PubChemData

Smile

C1CN(CC2(C1C(=O)NCCC3=CC=C(C=C3)C#N)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations