Geometry & MOs

Info

ID:	185977
PubChem CID:	77374782
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	648.425071
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	4.2
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-5-[[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]carbamoyl]-1,8-diphenyloct-7-en-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCC(O1)C2=C(N3C(C(C3=O)N)SC2)C(=O)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations