Geometry & MOs

Info

ID:	313605
PubChem CID:	126616284
Reduced:	ClSN4H21C26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	518.152784
ΔH_f, kcal/mol:	147.59
Dipole, Da:	2.84
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-amino-3-[[(2S)-2-phenylpropyl]amino]phenyl]-2,2-bis(4-chlorophenyl)acetate

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2CC4=CC=CC=N4)C=C(C=C3)C(C5=CC=C(C=C5)Cl)C6=NC=CS6

DOS

IR

Vibrations