Geometry & MOs

Info

ID:	154995
PubChem CID:	56314556
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	447.11575
ΔH_f, kcal/mol:	30.97
Dipole, Da:	6.11
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=CSC(=N3)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations