Geometry & MOs

Info

ID:	155928
PubChem CID:	56368329
Reduced:	SO2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	31.17
Dipole, Da:	2.68
IP(EA), eV:	-8.48(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=NC=C2)CCC(=O)NC3=CC=C(C=C3)SC4=NC=CN4C

DOS

IR

Vibrations