Geometry & MOs

Info

ID:	164197
PubChem CID:	74382255
Reduced:	SN5O5C27H35 (1)
Stoich.:	AB5C5D27E35 (1)
Weight, g/mol:	561.250872
ΔH_f, kcal/mol:	-137.52
Dipole, Da:	6.78
IP(EA), eV:	-9.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[3-amino-4-[butyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CN=CN=C2)N)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations