Geometry & MOs

Info

ID:	179713
PubChem CID:	76520292
Reduced:	INO5C14H22 (1)
Stoich.:	ABC5D14E22 (1)
Weight, g/mol:	641.26451
ΔH_f, kcal/mol:	-211.06
Dipole, Da:	2.05
IP(EA), eV:	-8.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)-N-[4-[(4-acetamidophenyl)sulfonyl-(4-cyano-2,2-dimethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(OC2C(C(=CCC2(O1)C)I)OC(C)(C(=O)N)OC)C

DOS

IR

Vibrations