Geometry & MOs

Info

ID:	17505
PubChem CID:	502109
Reduced:	SN3O5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	385.073242
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	5.27
IP(EA), eV:	-9.42(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations