Geometry & MOs

Info

ID:	169683
PubChem CID:	75136092
Reduced:	SO2N7H19C21 (1)
Stoich.:	AB2C7D19E21 (1)
Weight, g/mol:	429.201219
ΔH_f, kcal/mol:	61.13
Dipole, Da:	6.7
IP(EA), eV:	-8.22(-0.56)
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)-4-(2,5-dioxopyrrolidin-1-yl)-N-ethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(N1)C(CN2)C#N)CC(=O)NC3=CC=C(C=C3)C4=CN5C=CSC5=N4

DOS

IR

Vibrations