Geometry & MOs

Info

ID:	395850
PubChem CID:	135026707
Reduced:	N2O8C17H32 (1)
Stoich.:	A2B8C17D32 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-374.21
Dipole, Da:	6.84
IP(EA), eV:	-9.74(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-phenyl-2-(6-phenylpyridazin-3-yl)propyl]carbamate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CC[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)N)O)CO)CO)O)NCO1

DOS

IR

Vibrations