Geometry & MOs

Info

ID:	170368
PubChem CID:	75221946
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	437.158685
ΔH_f, kcal/mol:	-119.85
Dipole, Da:	7.99
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(methylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2=CC=CC=C2N1C(=O)COC(=O)C(=CC3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations