Geometry & MOs

Info

ID:	136276
PubChem CID:	52010436
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	75.02
Dipole, Da:	8.75
IP(EA), eV:	-9.52(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-ethyl-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)C2=CC(=CC=C2)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations