Geometry & MOs

Info

ID:

223856

PubChem CID:

85335664

Reduced:

N6O8C29H46 (1)

Stoich.:

A6B8C29D46 (1)

Weight, g/mol:

607.227828

ΔHf, kcal/mol:

-379.84

Dipole, Da:

9.53

IP(EA), eV:

 -9.47(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-phenylphenyl)propanoyl]amino]-3-[[1-[4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxy]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)N

DOS

IR

Vibrations