Geometry & MOs

Info

ID:	240879
PubChem CID:	93617927
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-45.94
Dipole, Da:	6.13
IP(EA), eV:	-9.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NC(=O)CCC2=NC(=NO2)C3=CN=CC=C3

DOS

IR

Vibrations