Geometry & MOs

Info

ID:	33264
PubChem CID:	7885716
Reduced:	BrOSN2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	10.6
Dipole, Da:	1.65
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloroanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC=C3Br)C

DOS

IR

Vibrations