Geometry & MOs

Info

ID:	61849
PubChem CID:	26714123
Reduced:	BrSO3N4C21H25 (1)
Stoich.:	ABC3D4E21F25 (1)
Weight, g/mol:	435.04298
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	5.81
IP(EA), eV:	-9.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-4-methoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)CCC2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations