Geometry & MOs

Info

ID:	424200
PubChem CID:	135121727
Reduced:	O3N5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	496.31235
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	7.33
IP(EA), eV:	-8.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[bis[4-(2,3,3-trimethylbutan-2-yl)phenyl]carbamothioyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(=O)NCCCN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations