Geometry & MOs

Info

ID:	43573
PubChem CID:	10321486
Reduced:	O2F3N3C24H30 (1)
Stoich.:	A2B3C3D24E30 (1)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-242.35
Dipole, Da:	7.86
IP(EA), eV:	-8.64(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2R)-3-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CN(CC[C@@H]2CC3=C1C4=C(N3)C=CC(=C4)C(F)(F)F)CCC5(CCCN5)C(=O)O

DOS

IR

Vibrations