Geometry & MOs

Info

ID:	56487
PubChem CID:	17435882
Reduced:	N2S2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	452.07356
ΔH_f, kcal/mol:	-92.57
Dipole, Da:	1.39
IP(EA), eV:	-9.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)NC(=O)CCC2=CSC=C2)C

DOS

IR

Vibrations