Geometry & MOs

Info

ID:	137141
PubChem CID:	52158053
Reduced:	N3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	2.46
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)NC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3C#N

DOS

IR

Vibrations