Geometry & MOs

Info

ID:

16549

PubChem CID:

472476

Reduced:

SN4O7C25H36 (1)

Stoich.:

AB4C7D25E36 (1)

Weight, g/mol:

536.230471

ΔHf, kcal/mol:

-227.47

Dipole, Da:

4.05

IP(EA), eV:

 -9.47(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 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)OC(C)(C)C)O)S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations