Geometry & MOs

Info

ID:

160475

PubChem CID:

57309823

Reduced:

N2O5H18C23 (1)

Stoich.:

A2B5C18D23 (1)

Weight, g/mol:

535.235222

ΔHf, kcal/mol:

-62.12

Dipole, Da:

2.57

IP(EA), eV:

 -8.64(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-4-[(5-amino-2,2-dimethylpentyl)-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)C)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations