Geometry & MOs

Info

ID:	441392
PubChem CID:	135234471
Reduced:	OSN8H22C25 (1)
Stoich.:	ABC8D22E25 (1)
Weight, g/mol:	278.110729
ΔH_f, kcal/mol:	172.55
Dipole, Da:	6.12
IP(EA), eV:	-8.68(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxycyclohexyl)methylsulfanyl]-3-methylbutanoyl chloride

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\N=C5C(=CC=NC5=N4)C6=CSC=C6)/NN3)O

DOS

IR

Vibrations