Geometry & MOs

Info

ID:	16177
PubChem CID:	460973
Reduced:	N2O4C33H34 (1)
Stoich.:	A2B4C33D34 (1)
Weight, g/mol:	522.251858
ΔH_f, kcal/mol:	-98.44
Dipole, Da:	4.0
IP(EA), eV:	-9.27(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S,5S)-5-benzamido-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations