Geometry & MOs

Info

ID:	17504
PubChem CID:	502108
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	6.82
IP(EA), eV:	-8.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]-N-[(1S)-1-(5-methyl-4-oxothieno[2,3-d][1,3]oxazin-2-yl)ethyl]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(C)C

DOS

IR

Vibrations