Geometry & MOs

Info

ID:	140605
PubChem CID:	52729389
Reduced:	ClNSO3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	376.04226
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	1.86
IP(EA), eV:	-8.29(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)S[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations