Geometry & MOs

Info

ID:	170488
PubChem CID:	75240839
Reduced:	O3C22H30 (1)
Stoich.:	A3B22C30 (1)
Weight, g/mol:	528.269633
ΔH_f, kcal/mol:	-60.04
Dipole, Da:	2.77
IP(EA), eV:	-9.74(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[3-(4-amino-2-oxopyrimidin-1-yl)propylamino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C1CC2C(C1C#CC)O2)OC(=O)CCCCC=CCC#CC

DOS

IR

Vibrations