Geometry & MOs

Info

ID:	219227
PubChem CID:	85096615
Reduced:	NO3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	466.242749
ΔH_f, kcal/mol:	-177.93
Dipole, Da:	3.24
IP(EA), eV:	-8.27(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl N-[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)OC

DOS

IR

Vibrations