Geometry & MOs

Info

ID:	136711
PubChem CID:	52087983
Reduced:	O2N3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	481.203528
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008660
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)CCC2=NC=C(O2)C3=CC=CC=C3)[NH+]4CCCC4

DOS

IR

Vibrations