Geometry & MOs

Info

ID:	309574
PubChem CID:	126549160
Reduced:	O7C30H34 (1)
Stoich.:	A7B30C34 (1)
Weight, g/mol:	477.17741
ΔH_f, kcal/mol:	-258.04
Dipole, Da:	2.87
IP(EA), eV:	-8.82(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,4-dioxo-3,1-benzoxazin-1-yl)ethyl-[2-[[4-(2,5-dioxopyrrol-1-yl)benzoyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C2C(OCC2=CC=C1)COC3=CC=C(C=C3)CC4=C(C=CC(=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C

DOS

IR

Vibrations