Geometry & MOs

Info

ID:	184888
PubChem CID:	77224472
Reduced:	SN6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	619.292737
ΔH_f, kcal/mol:	67.41
Dipole, Da:	3.94
IP(EA), eV:	-8.31(-0.61)
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-[4-[(5-amino-2,2-dimethylpentyl)-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1C2CC(CCC2NN1)C3=NN=C(S3)NCC4(CCC5=CC=CC=C5C4)N

DOS

IR

Vibrations