Geometry & MOs

Info

ID:	437326
PubChem CID:	135223958
Reduced:	SN3O7C30H33 (1)
Stoich.:	AB3C7D30E33 (1)
Weight, g/mol:	355.308644
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	3.49
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3,4,4-tetramethyl-7-oxo-7-(2,2,3,3-tetramethylbutylamino)heptanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(=O)C2CCC(CC2)C(=O)OCCCCOC(=O)C=C)/C=N/NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations