Geometry & MOs

Info

ID:	62030
PubChem CID:	26717122
Reduced:	FCl2N3O3H16C18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	434.05486
ΔH_f, kcal/mol:	-153.9
Dipole, Da:	4.15
IP(EA), eV:	-8.86(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-[[2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CNC(=O)CNC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations