Geometry & MOs

Info

ID:	141314
PubChem CID:	52858927
Reduced:	N2O2C20H25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	445.92192
ΔH_f, kcal/mol:	-35.46
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.001819
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2R)-4-(4-bromophenyl)butan-2-yl]-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)CC3=CC(=CC=C3)O

DOS

IR

Vibrations