Geometry & MOs

Info

ID:	217262
PubChem CID:	85087520
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	348.041607
ΔH_f, kcal/mol:	-168.62
Dipole, Da:	2.21
IP(EA), eV:	-8.78(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-3-oxo-1,4-benzoxazin-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C=CC2=C(C=CC=C2OC)OC

DOS

IR

Vibrations