Geometry & MOs

Info

ID:	33575
PubChem CID:	7887044
Reduced:	ClN4O4C19H21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	403.057982
ΔH_f, kcal/mol:	-127.6
Dipole, Da:	4.2
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)N(C(=O)N(C1=O)CC(=O)NCCC2=CC=C(C=C2)Cl)CC=C

DOS

IR

Vibrations