Geometry & MOs

Info

ID:

16931

PubChem CID:

480462

Reduced:

SN5O8C32H47 (1)

Stoich.:

AB5C8D32E47 (1)

Weight, g/mol:

661.314535

ΔHf, kcal/mol:

-332.76

Dipole, Da:

6.85

IP(EA), eV:

 -9.13(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[4-(dimethylcarbamoylamino)-2,2-dimethylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)N(C)C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N

DOS

IR

Vibrations