Geometry & MOs

Info

ID:	125597
PubChem CID:	50929441
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	22.66
Dipole, Da:	4.86
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)N

DOS

IR

Vibrations