Geometry & MOs

Info

ID:	243770
PubChem CID:	99239483
Reduced:	ClNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	6.74
IP(EA), eV:	-9.05(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-methylphenyl)methyl-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)C2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations