Geometry & MOs

Info

ID:	75331
PubChem CID:	48423337
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	396.01433
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	2.88
IP(EA), eV:	-8.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)C(C)OCC2CC2

DOS

IR

Vibrations