Geometry & MOs

Info

ID:	169348
PubChem CID:	75091010
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	571.198836
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	5.83
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[[1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCNC3CCCC=C3C(=O)OC

DOS

IR

Vibrations