Geometry & MOs

Info

ID:	366504
PubChem CID:	127320020
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-151.73
Dipole, Da:	4.3
IP(EA), eV:	-8.17(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(2-imidazol-1-yl-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)[C@@H]2CCCN2C(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations