Geometry & MOs

Info

ID:	188367
PubChem CID:	77705042
Reduced:	N2O3C30H30 (1)
Stoich.:	A2B3C30D30 (1)
Weight, g/mol:	524.270879
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	6.41
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-5-[5-(1-methoxypropyl)-1,3-thiazol-2-yl]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCC2=C(C=CC3=C2CCCC3=O)OC(C)(C4=CC=CC=C4)C5=NC=CN5

DOS

IR

Vibrations