Geometry & MOs

Info

ID:	235661
PubChem CID:	92710340
Reduced:	N2O5C27H28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	1.33
IP(EA), eV:	-8.7(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCNC(=O)[C@@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations