Geometry & MOs

Info

ID:	393733
PubChem CID:	135021573
Reduced:	NO7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	431.194402
ΔH_f, kcal/mol:	-271.0
Dipole, Da:	5.67
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 6-O,7-O-diethyl (5S)-3-methyl-2-phenyl-5H-oxazepine-5,6,7-tricarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1(C(C=C(NC2=CC=CC=C21)C)C(=O)OC(C)(C)C)C(=O)OCC

DOS

IR

Vibrations