Geometry & MOs

Info

ID:

328272

PubChem CID:

126700489

Reduced:

SN4H28C40 (1)

Stoich.:

AB4C28D40 (1)

Weight, g/mol:

433.175004

ΔHf, kcal/mol:

189.01

Dipole, Da:

1.1

IP(EA), eV:

 -8.3(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

C1C=C(NC(N1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=CC=CC=C6S5)C7=CC(=CC=C7)N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations