Geometry & MOs

Info

ID:	322087
PubChem CID:	126668550
Reduced:	NS3C9H21 (1)
Stoich.:	AB3C9D21 (1)
Weight, g/mol:	501.269967
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	2.46
IP(EA), eV:	-8.75(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-amino-2-[(1R)-1-aminobutoxy]-5-nitropyrimidin-4-yl]-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]acetate

Drug info:

PubChemData

Smile

CN(CS)CSCCCCCCS

DOS

IR

Vibrations