Geometry & MOs

Info

ID:	143375
PubChem CID:	53199303
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	403.167811
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	3.31
IP(EA), eV:	-9.22(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[8-(2-methylpropyl)-7,12-dioxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-11-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NN(C3=O)CC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations