Geometry & MOs

Info

ID:	245180
PubChem CID:	99437786
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	492.16314
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	4.02
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-[[3-(phenylcarbamoylamino)phenyl]methyl]thiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)NCC2=CC(=CC=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations