Geometry & MOs

Info

ID:	79598
PubChem CID:	49829676
Reduced:	BrSN2O4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	424.163436
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	3.1
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-[2-(4-cyanophenoxy)propanoyloxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C=CC(=O)NNC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations