Geometry & MOs

Info

ID:	388561
PubChem CID:	134989513
Reduced:	N8C40H73 (2)
Stoich.:	A8B40C73 (2)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	-11.27
Dipole, Da:	5.02
IP(EA), eV:	-7.2(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylsulfanylcarbonyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=C(C2=NC3=NC(=NC4=NC(=NC5=C(C(=C(N5)N=C1N2)N(CCCC)CCCC)N(CCCC)CCCC)C(=C4N(CCCC)CCCC)N(CCCC)CCCC)C(=C3N(CCCC)CCCC)N(CCCC)CCCC)N(CCCC)CCCC

DOS

IR

Vibrations