Geometry & MOs

Info

ID:	1409
PubChem CID:	4349
Reduced:	N3O5C26H33 (1)
Stoich.:	A3B5C26D33 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-200.67
Dipole, Da:	3.69
IP(EA), eV:	-9.29(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[2-[(3-hydroxy-1-phenylbutan-2-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(C)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations