Geometry & MOs

Info

ID:	307440
PubChem CID:	125299947
Reduced:	NO6H11C12 (2)
Stoich.:	AB6C11D12 (2)
Weight, g/mol:	404.129156
ΔH_f, kcal/mol:	-457.21
Dipole, Da:	3.32
IP(EA), eV:	-9.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2S)-2-(2H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)OC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O

DOS

IR

Vibrations