Geometry & MOs

Info

ID:	387141
PubChem CID:	134984159
Reduced:	NSO3C10H16 (2)
Stoich.:	ABC3D10E16 (2)
Weight, g/mol:	409.210052
ΔH_f, kcal/mol:	-211.77
Dipole, Da:	10.19
IP(EA), eV:	-9.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 6-O,7-O-diethyl 9-methyl-4,5,5a,8-tetrahydro-1H-3,2-benzoxazepine-2,6,7-tricarboxylate

Drug info:

PubChemData

Smile

CCCNNC(C)C.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations