Geometry & MOs

Info

ID:	314253
PubChem CID:	126621062
Reduced:	SO2N6H24C25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	217.186421
ΔH_f, kcal/mol:	67.57
Dipole, Da:	4.15
IP(EA), eV:	-8.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2OC4=C3C=C(C=N4)CN5CCSC5)C6=C7C=CNC7=CC=C6

DOS

IR

Vibrations