Geometry & MOs

Info

ID:	257212
PubChem CID:	103144402
Reduced:	ON2S2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	397.94524
ΔH_f, kcal/mol:	-14.28
Dipole, Da:	3.24
IP(EA), eV:	-7.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2,5-dibromobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(S2)CCSC3)C)N

DOS

IR

Vibrations