Geometry & MOs

Info

ID:	205475
PubChem CID:	80109439
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	36.04
Dipole, Da:	4.66
IP(EA), eV:	-8.35(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(oxetan-3-ylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCSC1=C(N(N=C1)C2=C(C=C(C=C2C)C)C)N

DOS

IR

Vibrations