Geometry & MOs

Info

ID:	425856
PubChem CID:	135128301
Reduced:	SO2N6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	7.76
IP(EA), eV:	-8.45(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-methylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC=CC(=C4)C(=O)NC5CCNCC5)O

DOS

IR

Vibrations