Geometry & MOs

Info

ID:	333971
PubChem CID:	127252523
Reduced:	N2O3C17H23 (2)
Stoich.:	A2B3C17D23 (2)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-205.35
Dipole, Da:	6.47
IP(EA), eV:	-8.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC[C@@H]1CCCN2[C@@H]1CCCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations