Geometry & MOs

Info

ID:	168917
PubChem CID:	75040875
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	527.295513
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	4.27
IP(EA), eV:	-9.07(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[[2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-oxopiperazine-2-carbonyl]amino]acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

COC(=O)C1CNC(=O)CN1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations