Geometry & MOs

Info

ID:	137823
PubChem CID:	52267737
Reduced:	O3N4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	364.236208
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	8.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867901
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-oxo-4-[3-[(1S)-1-phenylethoxy]propylamino]butyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)NC[C@H](C3=CC=CO3)[NH+](C)C

DOS

IR

Vibrations