Geometry & MOs

Info

ID:	312110
PubChem CID:	126603274
Reduced:	FN3O6C25H28 (1)
Stoich.:	AB3C6D25E28 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-269.63
Dipole, Da:	8.65
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9S)-9-[ethyl(methyl)amino]-4a-hydroxy-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione

Drug info:

PubChemData

Smile

CN[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC(=C4C(=C3C(=O)[C@@H]2C(=O)C(=C1O)C(=O)N)O)O)C5CCCN5C)F

DOS

IR

Vibrations