Geometry & MOs

Info

ID:	178043
PubChem CID:	76267640
Reduced:	ClN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	476.274718
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	4.51
IP(EA), eV:	-9.42(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]-4-methylphenyl]propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C=C(C=C1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations