Geometry & MOs

Info

ID:	141358
PubChem CID:	52866781
Reduced:	BrSN2O2C18H19 (1)
Stoich.:	ABC2D2E18F19 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-51.26
Dipole, Da:	5.15
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2-methoxyethoxy)benzoyl]amino]-N,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CCSC2=CC=C(C=C2)Br)C(=O)NC

DOS

IR

Vibrations