Geometry & MOs

Info

ID:	121280
PubChem CID:	50761574
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	423.172896
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	3.75
IP(EA), eV:	-9.18(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-butyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-(3,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCC(=O)NCC4=CC=C(O4)C

DOS

IR

Vibrations