Geometry & MOs

Info

ID:	431636
PubChem CID:	135171732
Reduced:	SN3O3C25H35 (1)
Stoich.:	AB3C3D25E35 (1)
Weight, g/mol:	285.194008
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	6.23
IP(EA), eV:	-8.43(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-tert-butyl 1-O-methyl 3,3-dimethyl-2-(methylideneamino)heptanedioate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NC(=CS3)C4CC4

DOS

IR

Vibrations