Geometry & MOs

Info

ID:	188843
PubChem CID:	77773169
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	614.404335
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	4.89
IP(EA), eV:	-9.04(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[2-[3-benzyl-5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,3,6,7-tetrahydroazepin-1-yl]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(COC1=CN=CC=C1)N2CCCC2

DOS

IR

Vibrations