Geometry & MOs

Info

ID:	46675
PubChem CID:	10526159
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	7.24
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrimidin-5-ylmethyl N-[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)NC(=O)C(C)(C)C

DOS

IR

Vibrations