Geometry & MOs

Info

ID:	328726
PubChem CID:	126726933
Reduced:	SN12O13C61H92 (1)
Stoich.:	AB12C13D61E92 (1)
Weight, g/mol:	244.101878
ΔH_f, kcal/mol:	-581.44
Dipole, Da:	5.39
IP(EA), eV:	-8.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(1R)-2-methyl-1-phenylpropyl]benzene

Drug info:

Smile

CCCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(=C)C)NC(=O)CCCCCN3C(=O)C=CC3=O)C[C@H](C)C(=O)O)OC(=O)NC)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]4CCCCN4C

DOS

IR

Vibrations