Geometry & MOs

Info

ID:	82005
PubChem CID:	49855466
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	386.151158
ΔH_f, kcal/mol:	-190.15
Dipole, Da:	2.16
IP(EA), eV:	-9.12(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-5-anilino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCCO)C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations