Geometry & MOs

Info

ID:	329291
PubChem CID:	126734112
Reduced:	SN4C5H10 (1)
Stoich.:	AB4C5D10 (1)
Weight, g/mol:	698.29855
ΔH_f, kcal/mol:	61.46
Dipole, Da:	4.56
IP(EA), eV:	-9.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxatricyclo[4.4.1.03,9]undecan-11-yl N-[(2S,3R)-4-[[2-(cyclopropylamino)-1,3-benzoxazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-(4-methoxyphenyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NN=CN1N)SC

DOS

IR

Vibrations