Geometry & MOs

Info

ID:	182203
PubChem CID:	76858041
Reduced:	O4N5C27H37 (1)
Stoich.:	A4B5C27D37 (1)
Weight, g/mol:	420.04332
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	8.52
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-5-bromo-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)CN3C(=O)C4C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5)C)C

DOS

IR

Vibrations