Geometry & MOs

Info

ID:	218913
PubChem CID:	85090151
Reduced:	O11C26H38 (1)
Stoich.:	A11B26C38 (1)
Weight, g/mol:	526.224991
ΔH_f, kcal/mol:	-482.42
Dipole, Da:	8.2
IP(EA), eV:	-9.88(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(ethenylsulfonylamino)-1-oxo-4-phenylbutan-2-yl]amino]-3-phenylpropanoyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)O)C)O)OC(=O)C

DOS

IR

Vibrations