Geometry & MOs

Info

ID:

178810

PubChem CID:

76385533

Reduced:

O16N22C57H88 (1)

Stoich.:

A16B22C57D88 (1)

Weight, g/mol:

443.230788

ΔHf, kcal/mol:

-617.63

Dipole, Da:

6.95

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[1-hydroxy-2-[4-(hydroxymethyl)-2-phenylmethoxyphenoxy]ethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1CCCCNC(=O)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)CCCCN)CC2=CNC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CN=CN4)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations