Geometry & MOs

Info

ID:

16550

PubChem CID:

472477

Reduced:

SN4O7C28H34 (1)

Stoich.:

AB4C7D28E34 (1)

Weight, g/mol:

570.214821

ΔHf, kcal/mol:

-149.05

Dipole, Da:

3.64

IP(EA), eV:

 -9.03(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S,3R)-4-[(4-amino-3-nitrophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

DOS

IR

Vibrations