Geometry & MOs

Info

ID:	1981
PubChem CID:	5489
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-206.29
Dipole, Da:	5.42
IP(EA), eV:	-9.34(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations