Geometry & MOs

Info

ID:	166340
PubChem CID:	74673074
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	424.179636
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	6.56
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(6-amino-1-cyclopropyl-2,4-dioxo-1,3-diazinan-5-yl)-2-oxoethyl]-[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylazanium

Drug info:

PubChemData

Smile

CC(C)CN1C2C(C(=O)NC1=O)N(C(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)CCOC

DOS

IR

Vibrations