Geometry & MOs

Info

ID:	318631
PubChem CID:	126652439
Reduced:	ClON6C19H27 (1)
Stoich.:	ABC6D19E27 (1)
Weight, g/mol:	370.165935
ΔH_f, kcal/mol:	22.12
Dipole, Da:	2.6
IP(EA), eV:	-8.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]propanoate

Drug info:

PubChemData

Smile

CO[C@@H]1CC(N(C1)C2CCN(CC2)C3=NNC(=N3)N)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations