Geometry & MOs

Info

ID:	164157
PubChem CID:	74382112
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	587.266522
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	5.93
IP(EA), eV:	-8.91(-1.15)
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-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)C(=O)C2=CC=C(C=C2)C3CCNN3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations