Geometry & MOs

Info

ID:	331954
PubChem CID:	127250240
Reduced:	SO2N3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	449.130633
ΔH_f, kcal/mol:	4.24
Dipole, Da:	2.99
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(2-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(6-fluoro-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CC5=C(C=C4)N=C(S5)C

DOS

IR

Vibrations