Geometry & MOs

Info

ID:	328313
PubChem CID:	126700664
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	392.159689
ΔH_f, kcal/mol:	-6.41
Dipole, Da:	9.16
IP(EA), eV:	-8.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(2-amino-1,3-benzoxazol-5-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)NC1=CC2=C3C(=C1)OCCCN3C(=N2)C4=CN=CC=C4

DOS

IR

Vibrations