Geometry & MOs

Info

ID:	328275
PubChem CID:	126700497
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	457.186238
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	4.23
IP(EA), eV:	-8.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[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]pyrazol-1-yl]butanamide

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C2=NC3=C4N2CCCOC4=CC(=C3)N[C@@H](C5CC5)C(=O)N

DOS

IR

Vibrations