Geometry & MOs

Info

ID:	177804
PubChem CID:	76232314
Reduced:	S2N3O5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	473.263819
ΔH_f, kcal/mol:	-125.83
Dipole, Da:	11.1
IP(EA), eV:	-9.75(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)NCCN2C(=O)C(=CC3=CC=CC=C3)SC2=O

DOS

IR

Vibrations