Geometry & MOs

Info

ID:	75042
PubChem CID:	48422911
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	410.02998
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	1.96
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(5-bromothiophen-2-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations