Geometry & MOs

Info

ID:	431639
PubChem CID:	135171735
Reduced:	O3N5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	5.73
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-tert-butyl 1-O-methyl 2-[(4-ethynylbenzoyl)amino]-3,3-dimethylheptanedioate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)NC3=NNC(=N3)C4CC4

DOS

IR

Vibrations