Geometry & MOs

Info

ID:	74676
PubChem CID:	48422277
Reduced:	SN2O5C19H30 (1)
Stoich.:	AB2C5D19E30 (1)
Weight, g/mol:	408.04332
ΔH_f, kcal/mol:	-190.11
Dipole, Da:	4.46
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OCC2CC2)OCC

DOS

IR

Vibrations